2-(1-cyanocyclopentyl)benzonitrile

C13H12N2 — CID 117047164

IUPAC2-(1-cyanocyclopentyl)benzonitrile
SMILESN#Cc1ccccc1C1(C#N)CCCC1
InChIInChI=1S/C13H12N2/c14-9-11-5-1-2-6-12(11)13(10-15)7-3-4-8-13/h1-2,5-6H,3-4,7-8H2
InChIKeyRYUURFFIYPXAPL-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.89
Rot. Bonds1

About 2-(1-cyanocyclopentyl)benzonitrile

2-(1-cyanocyclopentyl)benzonitrile (PubChem CID 117047164) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(1-cyanocyclopentyl)benzonitrile.

Molecular Properties

Compound Name2-(1-cyanocyclopentyl)benzonitrile
PubChem CID117047164
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2-(1-cyanocyclopentyl)benzonitrile
SMILESN#Cc1ccccc1C1(C#N)CCCC1
InChIInChI=1S/C13H12N2/c14-9-11-5-1-2-6-12(11)13(10-15)7-3-4-8-13/h1-2,5-6H,3-4,7-8H2
InChIKeyRYUURFFIYPXAPL-UHFFFAOYSA-N
XLogP2.89
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanocyclopentyl)benzonitrile?
The IUPAC name of 2-(1-cyanocyclopentyl)benzonitrile (CID 117047164) is 2-(1-cyanocyclopentyl)benzonitrile.
What is the SMILES notation for 2-(1-cyanocyclopentyl)benzonitrile?
The canonical SMILES for 2-(1-cyanocyclopentyl)benzonitrile is N#Cc1ccccc1C1(C#N)CCCC1.
What is the InChIKey of 2-(1-cyanocyclopentyl)benzonitrile?
The InChIKey is RYUURFFIYPXAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c14-9-11-5-1-2-6-12(11)13(10-15)7-3-4-8-13/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 2-(1-cyanocyclopentyl)benzonitrile?
2-(1-cyanocyclopentyl)benzonitrile has a molecular weight of 196.25 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanocyclopentyl)benzonitrile is sourced from PubChem (CID 117047164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).