Structure of Cyclopentene (C14H16Cl2N2O2S)
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Chemical Formula | C14H16Cl2N2O2S |
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Molecular Weight | 347.26004 g/mol |
IUPAC Name | [(2S)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl][(1S)-1-(1,3-thiazol-2-yl)ethyl]amine |
SMILES String | CC(NCC(O)COc1c(Cl)cccc1Cl)c2nccs2 |
InChI | InChI=1S/C14H16Cl2N2O2S/c1-9(14-17-5-6-21-14)18-7-10(19)8-20-13-11(15)3-2-4-12(13)16/h2-6,9-10,18-19H,7-8H2,1H3/t9-,10-/m0/s1 |
InChIKey | ZFATWQNOEWFLJS-UWVGGRQHSA-N |
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Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Cyclopentene molecule contains a total of 38 bond(s). There are 22 non-H bond(s), 11 multiple bond(s), 7 rotatable bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 secondary amine(s) (aliphatic), 1 hydroxyl group(s), 1 secondary alcohol(s), 1 ether(s) (aromatic), and 1 Thiazole(s). Images of the chemical structure of Cyclopentene are given below:


The 2D chemical structure image of Cyclopentene is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Cyclopentene are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of Cyclopentene is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Cyclopentene. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Cyclopentene is provided here.
The Cyclopentene molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Cyclopentene molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Cyclopentene can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying Cyclopentene Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Cyclopentene
The SMILES string of Cyclopentene is CC(NCC(O)COc1c(Cl)cccc1Cl)c2nccs2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Cyclopentene.
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Structure Data File (SDF/MOL File) of Cyclopentene
The structure data file (SDF/MOL File) of Cyclopentene is available for download in the SDF page of Cyclopentene, which provides the information about the atoms, bonds, connectivity and coordinates of Cyclopentene. The Cyclopentene structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Cyclopentene
The molecular formula of Cyclopentene is available in chemical formula page of Cyclopentene, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of Cyclopentene
The molecular weight of Cyclopentene is available in molecular weight page of Cyclopentene, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of Cyclopentene
The Cyclopentene compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Cyclopentene including the various registry numbers, if available:
- Cyclopentene [UN2246] [Flammable liquid]
- 1-Cyclopentene
- 33004-05-6
- 142-29-0
- Cyclopentene
Cyclopentene Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Cyclopentene? |
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C14H16Cl2N2O2S |
How many atoms and what are the elements included the Cyclopentene molecule? |
37 atom(s) - 16 Hydrogen atom(s), 14 Carbon atom(s), 2 Nitrogen atom(s), 2 Oxygen atom(s), 1 Sulfur atom(s), and 2 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are included the Cyclopentene structure? |
38 bond(s) - 22 non-H bond(s), 11 multiple bond(s), 7 rotatable bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 secondary amine(s) (aliphatic), 1 hydroxyl group(s), 1 secondary alcohol(s), 1 ether(s) (aromatic), and 1 Thiazole(s) |
What’s the Cyclopentene’s molecular weight? |
347.26004 g/mol |
What’s the SMILES code of Cyclopentene? |
CC(NCC(O)COc1c(Cl)cccc1Cl)c2nccs2 |
What’s the InChI string of Cyclopentene? |
InChI=1S/C14H16Cl2N2O2S/c1-9(14-17-5-6-21-14)18-7-10(19)8-20-13-11(15)3-2-4-12(13)16/h2-6,9-10,18-19H,7-8H2,1H3/t9-,10-/m0/s1 |
What’s the InChIKey code of Cyclopentene? |
ZFATWQNOEWFLJS-UWVGGRQHSA-N |