1-prop-2-enylpyrrolidine-3-carbonitrile

C8H12N2 — CID 83694263

IUPAC1-prop-2-enylpyrrolidine-3-carbonitrile
SMILESC=CCN1CCC(C#N)C1
InChIInChI=1S/C8H12N2/c1-2-4-10-5-3-8(6-9)7-10/h2,8H,1,3-5,7H2
InChIKeyGXZVRYDKLRCKFG-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.02
Rot. Bonds2

About 1-prop-2-enylpyrrolidine-3-carbonitrile

1-prop-2-enylpyrrolidine-3-carbonitrile (PubChem CID 83694263) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-prop-2-enylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-prop-2-enylpyrrolidine-3-carbonitrile
PubChem CID83694263
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-prop-2-enylpyrrolidine-3-carbonitrile
SMILESC=CCN1CCC(C#N)C1
InChIInChI=1S/C8H12N2/c1-2-4-10-5-3-8(6-9)7-10/h2,8H,1,3-5,7H2
InChIKeyGXZVRYDKLRCKFG-UHFFFAOYSA-N
XLogP1.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpyrrolidine-3-carbonitrile?
The IUPAC name of 1-prop-2-enylpyrrolidine-3-carbonitrile (CID 83694263) is 1-prop-2-enylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-prop-2-enylpyrrolidine-3-carbonitrile?
The canonical SMILES for 1-prop-2-enylpyrrolidine-3-carbonitrile is C=CCN1CCC(C#N)C1.
What is the InChIKey of 1-prop-2-enylpyrrolidine-3-carbonitrile?
The InChIKey is GXZVRYDKLRCKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-4-10-5-3-8(6-9)7-10/h2,8H,1,3-5,7H2.
What are the key properties of 1-prop-2-enylpyrrolidine-3-carbonitrile?
1-prop-2-enylpyrrolidine-3-carbonitrile has a molecular weight of 136.20 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 83694263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).