1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile

C12H17NO — CID 65393588

IUPAC1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile
SMILESN#CC1(CC2CCCC2)CCCC1=O
InChIInChI=1S/C12H17NO/c13-9-12(7-3-6-11(12)14)8-10-4-1-2-5-10/h10H,1-8H2
InChIKeyUWWZAHRPPLPWAM-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.83
Rot. Bonds2

About 1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile

1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile (PubChem CID 65393588) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile
PubChem CID65393588
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile
SMILESN#CC1(CC2CCCC2)CCCC1=O
InChIInChI=1S/C12H17NO/c13-9-12(7-3-6-11(12)14)8-10-4-1-2-5-10/h10H,1-8H2
InChIKeyUWWZAHRPPLPWAM-UHFFFAOYSA-N
XLogP2.83
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-oxocyclopentane-1-carbonitrile
CID 79623268
1-nonyl-2-oxocyclopentane-1-carbonitrile
CID 65392753
1-(2-methylpropyl)-2-oxocyclohexane-1-carbonitrile
CID 65393163
2-oxo-1-prop-2-ynylcycloheptane-1-carbonitrile
CID 130031603
2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile
CID 106459269
1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile
CID 13218021
2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1-carbonitrile
CID 65393991
tert-butyl 2-(1-cyano-2-oxocyclopentyl)acetate
CID 170913863
1-dodecyl-2-oxocyclohexane-1-carbonitrile
CID 65395030
1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclohexane-1-carbonitrile
CID 13218038
1-[(5-chlorothiophen-2-yl)methyl]-2-oxocyclopentane-1-carbonitrile
CID 65394836
1-[(3-fluorophenyl)methyl]-2-oxocyclopentane-1-carbonitrile
CID 65392755

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile (CID 65393588) is 1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile is N#CC1(CC2CCCC2)CCCC1=O.
What is the InChIKey of 1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile?
The InChIKey is UWWZAHRPPLPWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-9-12(7-3-6-11(12)14)8-10-4-1-2-5-10/h10H,1-8H2.
What are the key properties of 1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile?
1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile has a molecular weight of 191.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile is sourced from PubChem (CID 65393588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).