4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile

C16H20N2 — CID 61064051

IUPAC4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CCCC2C2CCCC2)cc1
InChIInChI=1S/C16H20N2/c17-12-13-7-9-15(10-8-13)18-11-3-6-16(18)14-4-1-2-5-14/h7-10,14,16H,1-6,11H2
InChIKeyJIGLAILOQQMSRO-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.72
Rot. Bonds2

About 4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile

4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile (PubChem CID 61064051) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile
PubChem CID61064051
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CCCC2C2CCCC2)cc1
InChIInChI=1S/C16H20N2/c17-12-13-7-9-15(10-8-13)18-11-3-6-16(18)14-4-1-2-5-14/h7-10,14,16H,1-6,11H2
InChIKeyJIGLAILOQQMSRO-UHFFFAOYSA-N
XLogP3.72
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-azabicyclo[4.1.0]heptan-2-yl)benzonitrile
CID 117045339
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)benzonitrile
CID 102816646
1-(4-cyanophenyl)azocane-2-carboxylic acid
CID 114239766
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)benzonitrile
CID 43408270
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile
CID 61073075
4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile
CID 81282970
2-cyclohexyl-1-phenylpiperidine
CID 11736671
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]ethanone
CID 102726719
(1R)-1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]ethanol
CID 102727152
4-[2-(methylaminomethyl)pyrrolidin-1-yl]benzonitrile
CID 83704659
4-(2-methylazetidin-1-yl)benzonitrile
CID 78971394
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-chlorobenzonitrile
CID 79930031

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile?
The IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile (CID 61064051) is 4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile.
What is the SMILES notation for 4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile?
The canonical SMILES for 4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile is N#Cc1ccc(N2CCCC2C2CCCC2)cc1.
What is the InChIKey of 4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile?
The InChIKey is JIGLAILOQQMSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c17-12-13-7-9-15(10-8-13)18-11-3-6-16(18)14-4-1-2-5-14/h7-10,14,16H,1-6,11H2.
What are the key properties of 4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile?
4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile has a molecular weight of 240.35 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile is sourced from PubChem (CID 61064051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).