1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one

C13H17NO2 — CID 104751405

IUPAC1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one
SMILESCc1ccn(CC(=O)C2CCCC2)c(=O)c1
InChIInChI=1S/C13H17NO2/c1-10-6-7-14(13(16)8-10)9-12(15)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3
InChIKeyVBWLWNRYMAQMFR-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.92
Rot. Bonds3

About 1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one

1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one (PubChem CID 104751405) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one
PubChem CID104751405
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one
SMILESCc1ccn(CC(=O)C2CCCC2)c(=O)c1
InChIInChI=1S/C13H17NO2/c1-10-6-7-14(13(16)8-10)9-12(15)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3
InChIKeyVBWLWNRYMAQMFR-UHFFFAOYSA-N
XLogP1.92
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one
CID 104751404
1-cyclopropyl-2-(6-methylindol-1-yl)ethanone
CID 63914817
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one
CID 104753235
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 59562280
(2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 122116736
1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
CID 104750297
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 167973910
1-cyclopentyl-2-(2-methylimidazol-1-yl)ethanone
CID 115919041
5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one
CID 104751175
1-cyclopentyl-2-indol-1-ylethanone
CID 104751207
5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one
CID 104751621
5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 122117300

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one?
The IUPAC name of 1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one (CID 104751405) is 1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one?
The canonical SMILES for 1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one is Cc1ccn(CC(=O)C2CCCC2)c(=O)c1.
What is the InChIKey of 1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one?
The InChIKey is VBWLWNRYMAQMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-6-7-14(13(16)8-10)9-12(15)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3.
What are the key properties of 1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one?
1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 104751405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).