2-pyrrolidin-1-ylcyclohexene-1-carbonitrile

C11H16N2 — CID 10080908

IUPAC2-pyrrolidin-1-ylcyclohexene-1-carbonitrile
SMILESN#CC1=C(N2CCCC2)CCCC1
InChIInChI=1S/C11H16N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-8H2
InChIKeyOCRIYWMCLKIHBA-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.43
Rot. Bonds1

About 2-pyrrolidin-1-ylcyclohexene-1-carbonitrile

2-pyrrolidin-1-ylcyclohexene-1-carbonitrile (PubChem CID 10080908) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylcyclohexene-1-carbonitrile.

Molecular Properties

Compound Name2-pyrrolidin-1-ylcyclohexene-1-carbonitrile
PubChem CID10080908
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-pyrrolidin-1-ylcyclohexene-1-carbonitrile
SMILESN#CC1=C(N2CCCC2)CCCC1
InChIInChI=1S/C11H16N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-8H2
InChIKeyOCRIYWMCLKIHBA-UHFFFAOYSA-N
XLogP2.43
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylcyclohexene-1-carbonitrile?
The IUPAC name of 2-pyrrolidin-1-ylcyclohexene-1-carbonitrile (CID 10080908) is 2-pyrrolidin-1-ylcyclohexene-1-carbonitrile.
What is the SMILES notation for 2-pyrrolidin-1-ylcyclohexene-1-carbonitrile?
The canonical SMILES for 2-pyrrolidin-1-ylcyclohexene-1-carbonitrile is N#CC1=C(N2CCCC2)CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylcyclohexene-1-carbonitrile?
The InChIKey is OCRIYWMCLKIHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-8H2.
What are the key properties of 2-pyrrolidin-1-ylcyclohexene-1-carbonitrile?
2-pyrrolidin-1-ylcyclohexene-1-carbonitrile has a molecular weight of 176.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylcyclohexene-1-carbonitrile is sourced from PubChem (CID 10080908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).