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Structure of 1-(but-3-en-1-yn-1-yl)pyrrolidine (C8H11N)

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2D chemical structure image of 1-(but-3-en-1-yn-1-yl)pyrrolidine
Chemical Formula C8H11N
Molecular Weight 121.17964 g/mol
IUPAC Name 1-(but-3-en-1-yn-1-yl)pyrrolidine
SMILES String C=CC#CN1CCCC1
InChI InChI=1S/C8H11N/c1-2-3-6-9-7-4-5-8-9/h2H,1,4-5,7-8H2
InChIKey LOHBTCFJVVZEEX-UHFFFAOYSA-N
Citation CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network.

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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 1-(but-3-en-1-yn-1-yl)pyrrolidine molecule contains a total of 20 bond(s). There are 9 non-H bond(s), 2 multiple bond(s), 1 double bond(s), 1 triple bond(s), 1 five-membered ring(s), 1 tertiary amine(s) (aliphatic), and 1 Pyrrolidine(s). Images of the chemical structure of 1-(but-3-en-1-yn-1-yl)pyrrolidine are given below:

2D chemical structure image of 1-(but-3-en-1-yn-1-yl)pyrrolidine
2-dimensional (2D) chemical structure image of 1-(but-3-en-1-yn-1-yl)pyrrolidine
3D chemical structure image of 1-(but-3-en-1-yn-1-yl)pyrrolidine
3-dimensional (3D) chemical structure image of 1-(but-3-en-1-yn-1-yl)pyrrolidine

The 2D chemical structure image of 1-(but-3-en-1-yn-1-yl)pyrrolidine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1-(but-3-en-1-yn-1-yl)pyrrolidine 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 1-(but-3-en-1-yn-1-yl)pyrrolidine 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 1-(but-3-en-1-yn-1-yl)pyrrolidine. 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 1-(but-3-en-1-yn-1-yl)pyrrolidine is provided here.

The 1-(but-3-en-1-yn-1-yl)pyrrolidine 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 1-(but-3-en-1-yn-1-yl)pyrrolidine 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 1-(but-3-en-1-yn-1-yl)pyrrolidine 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
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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying 1-(but-3-en-1-yn-1-yl)pyrrolidine Molecule

  • Other names (synonyms) or registry numbers of 1-(but-3-en-1-yn-1-yl)pyrrolidine

    The 1-(but-3-en-1-yn-1-yl)pyrrolidine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1-(but-3-en-1-yn-1-yl)pyrrolidine including the various registry numbers, if available:



    None available.

1-(but-3-en-1-yn-1-yl)pyrrolidine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-(but-3-en-1-yn-1-yl)pyrrolidine?
C8H11N
How many atoms and what are the elements included the 1-(but-3-en-1-yn-1-yl)pyrrolidine molecule?
20 atom(s) - 11 Hydrogen atom(s), 8 Carbon atom(s), and 1 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are included the 1-(but-3-en-1-yn-1-yl)pyrrolidine structure?
20 bond(s) - 9 non-H bond(s), 2 multiple bond(s), 1 double bond(s), 1 triple bond(s), 1 five-membered ring(s), 1 tertiary amine(s) (aliphatic), and 1 Pyrrolidine(s)
What’s the 1-(but-3-en-1-yn-1-yl)pyrrolidine’s molecular weight?
121.17964 g/mol
What’s the SMILES code of 1-(but-3-en-1-yn-1-yl)pyrrolidine?
C=CC#CN1CCCC1
What’s the InChI string of 1-(but-3-en-1-yn-1-yl)pyrrolidine?
InChI=1S/C8H11N/c1-2-3-6-9-7-4-5-8-9/h2H,1,4-5,7-8H2
What’s the InChIKey code of 1-(but-3-en-1-yn-1-yl)pyrrolidine?
LOHBTCFJVVZEEX-UHFFFAOYSA-N