1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one

C14H21NO2 — CID 157368118

IUPAC1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1cccn([C@H]2CCC[C@H]2O)c1=O
InChIInChI=1S/C14H21NO2/c1-10(2)9-11-5-4-8-15(14(11)17)12-6-3-7-13(12)16/h4-5,8,10,12-13,16H,3,6-7,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyIEIQCDRXWQUCAR-QWHCGFSZSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds3

About 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one

1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one (PubChem CID 157368118) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one
PubChem CID157368118
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1cccn([C@H]2CCC[C@H]2O)c1=O
InChIInChI=1S/C14H21NO2/c1-10(2)9-11-5-4-8-15(14(11)17)12-6-3-7-13(12)16/h4-5,8,10,12-13,16H,3,6-7,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyIEIQCDRXWQUCAR-QWHCGFSZSA-N
XLogP2.13
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one 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

1-[(1S,2R)-2-hydroxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one
CID 139373552
3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one
CID 137457484
3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
CID 157368116
1-[(1R,2R)-2-hydroxycyclobutyl]-3-methylpyridin-2-one
CID 170110073
1-[(2S)-2-hydroxycyclobutyl]-3-methylpyridin-2-one
CID 166507271
1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82526599
(1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol
CID 146559384
1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527082
cis-(1R,3S)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;cis-(1S,3R)-3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile;1-(4-fluoro-1-methylpyrazol-3-yl)-3-(2-methylpropyl)pyridin-2-one;1-[(1R,3S)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;1-(3-hydroxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one;1-[(1S,2S)-2-methoxycyclopropyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1R,2R)-2-methoxycyclopropyl]-3-(2-methylpropyl)pyridin-2-one;1-(2-methoxycyclopropyl)-3-(2-methylpropyl)pyridin-2-one;3-[3-(2-methylpropyl)-2-oxo-1-pyridinyl]cyclohexane-1-carbonitrile
CID 161185804
3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride
CID 162308207
1-(4-fluorophenyl)-3-(2-methylpropyl)pyridin-2-one
CID 158427364
4-amino-2-(2-hydroxycyclohexyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
CID 103995227

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one (CID 157368118) is 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one is CC(C)Cc1cccn([C@H]2CCC[C@H]2O)c1=O.
What is the InChIKey of 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one?
The InChIKey is IEIQCDRXWQUCAR-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)9-11-5-4-8-15(14(11)17)12-6-3-7-13(12)16/h4-5,8,10,12-13,16H,3,6-7,9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one?
1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 157368118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).