4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile

C17H22N2 — CID 61073075

IUPAC4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCCC2C2CCCC2)cc1
InChIInChI=1S/C17H22N2/c18-12-14-7-9-15(10-8-14)13-19-11-3-6-17(19)16-4-1-2-5-16/h7-10,16-17H,1-6,11,13H2
InChIKeyMNXYSRQQTSGJAO-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.71
Rot. Bonds3

About 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile

4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile (PubChem CID 61073075) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile
PubChem CID61073075
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCCC2C2CCCC2)cc1
InChIInChI=1S/C17H22N2/c18-12-14-7-9-15(10-8-14)13-19-11-3-6-17(19)16-4-1-2-5-16/h7-10,16-17H,1-6,11,13H2
InChIKeyMNXYSRQQTSGJAO-UHFFFAOYSA-N
XLogP3.71
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)benzonitrile
CID 43408270
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)benzonitrile
CID 43408898
4-[(2-aminopiperidin-1-yl)methyl]benzonitrile
CID 160592003
1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine
CID 55192798
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-fluorobenzonitrile
CID 102726395
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile
CID 103758407
2-[4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]ethanamine
CID 102726874
4-[[(2R)-2-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86319149
1-[(4-propan-2-ylphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 58659517
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N,N-diethylaniline
CID 2846006
3-(2-azabicyclo[4.1.0]heptan-2-ylmethyl)benzonitrile
CID 117045351
4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile
CID 61064051

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile (CID 61073075) is 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile is N#Cc1ccc(CN2CCCC2C2CCCC2)cc1.
What is the InChIKey of 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile?
The InChIKey is MNXYSRQQTSGJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c18-12-14-7-9-15(10-8-14)13-19-11-3-6-17(19)16-4-1-2-5-16/h7-10,16-17H,1-6,11,13H2.
What are the key properties of 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile?
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile has a molecular weight of 254.38 g/mol, XLogP of 3.71, 3 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)methyl]benzonitrile is sourced from PubChem (CID 61073075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).