3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile

C14H16N2O — CID 78908797

IUPAC3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile
SMILESCC1(C(=O)C(C#N)c2ccccn2)CCCC1
InChIInChI=1S/C14H16N2O/c1-14(7-3-4-8-14)13(17)11(10-15)12-6-2-5-9-16-12/h2,5-6,9,11H,3-4,7-8H2,1H3
InChIKeyKFPWTXQIYQZBTC-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.84
Rot. Bonds3

About 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile

3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile (PubChem CID 78908797) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile.

Molecular Properties

Compound Name3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile
PubChem CID78908797
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile
SMILESCC1(C(=O)C(C#N)c2ccccn2)CCCC1
InChIInChI=1S/C14H16N2O/c1-14(7-3-4-8-14)13(17)11(10-15)12-6-2-5-9-16-12/h2,5-6,9,11H,3-4,7-8H2,1H3
InChIKeyKFPWTXQIYQZBTC-UHFFFAOYSA-N
XLogP2.84
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylcyclopropyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 103839482
3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80523719
methyl 3-cyano-2-oxo-3-pyridin-2-ylpropanoate
CID 3528141
(2R)-N-tert-butyl-2-cyano-2-pyridin-2-ylacetamide
CID 97253743
3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile
CID 78908818
S-[(3S)-3-cyano-2-oxo-3-pyridin-2-ylpropyl] ethanethioate
CID 41038214
1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 61463136
(2S)-5-cyclohexyl-3-oxo-2-pyridin-2-ylpentanenitrile
CID 95899867
3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile
CID 47179848
(2S,4S)-4-(2,6-dichlorophenyl)-3-oxo-2-pyridin-2-ylpentanenitrile
CID 95619124
(2S)-3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 2321213
2-[(1R,3R)-1-cyano-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]oxybenzonitrile
CID 95580102

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The IUPAC name of 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile (CID 78908797) is 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile.
What is the SMILES notation for 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The canonical SMILES for 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile is CC1(C(=O)C(C#N)c2ccccn2)CCCC1.
What is the InChIKey of 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The InChIKey is KFPWTXQIYQZBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-14(7-3-4-8-14)13(17)11(10-15)12-6-2-5-9-16-12/h2,5-6,9,11H,3-4,7-8H2,1H3.
What are the key properties of 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile has a molecular weight of 228.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile is sourced from PubChem (CID 78908797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).