4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile

C11H16N2 — CID 151673291

IUPAC4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile
SMILESN#CC1C=CC(N2CCCC2)CC1
InChIInChI=1S/C11H16N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3,5,10-11H,1-2,4,6-8H2
InChIKeyQYZYBUIOIGTBDG-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.94
Rot. Bonds1

About 4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile

4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile (PubChem CID 151673291) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile.

Molecular Properties

Compound Name4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile
PubChem CID151673291
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile
SMILESN#CC1C=CC(N2CCCC2)CC1
InChIInChI=1S/C11H16N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3,5,10-11H,1-2,4,6-8H2
InChIKeyQYZYBUIOIGTBDG-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
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 4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile?
The IUPAC name of 4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile (CID 151673291) is 4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile.
What is the SMILES notation for 4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile?
The canonical SMILES for 4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile is N#CC1C=CC(N2CCCC2)CC1.
What is the InChIKey of 4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile?
The InChIKey is QYZYBUIOIGTBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3,5,10-11H,1-2,4,6-8H2.
What are the key properties of 4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile?
4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile has a molecular weight of 176.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylcyclohex-2-ene-1-carbonitrile is sourced from PubChem (CID 151673291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).