1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one

C13H19NO2 — CID 165491790

IUPAC1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one
SMILESCC1(C)CCC(O)CC1n1ccc(=O)cc1
InChIInChI=1S/C13H19NO2/c1-13(2)6-3-11(16)9-12(13)14-7-4-10(15)5-8-14/h4-5,7-8,11-12,16H,3,6,9H2,1-2H3
InChIKeyHKHOWCWZTBLWLH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.96
Rot. Bonds1

About 1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one

1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one (PubChem CID 165491790) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one.

Molecular Properties

Compound Name1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one
PubChem CID165491790
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one
SMILESCC1(C)CCC(O)CC1n1ccc(=O)cc1
InChIInChI=1S/C13H19NO2/c1-13(2)6-3-11(16)9-12(13)14-7-4-10(15)5-8-14/h4-5,7-8,11-12,16H,3,6,9H2,1-2H3
InChIKeyHKHOWCWZTBLWLH-UHFFFAOYSA-N
XLogP1.96
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one
CID 165497531
3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 165498565
4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one
CID 165498655
3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 165491489
trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol
CID 71423247
(1S,2R,4S)-2-benzyl-7,7-dimethylcycloheptane-1,4-diol
CID 102291844
10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol
CID 165497827
3,3-dimethylcyclopentane-1,2-diol
CID 22245615
2-(8-hydroxyspiro[4.5]decan-10-yl)-4-methyl-1,2,4-triazol-3-one
CID 165497835
1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]pyridin-4-one
CID 166729644
4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-naphthalene-1,6-diol
CID 13412248
5,5-dimethylbicyclo[4.1.0]heptan-2-ol
CID 11116155

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one?
The IUPAC name of 1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one (CID 165491790) is 1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one.
What is the SMILES notation for 1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one?
The canonical SMILES for 1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one is CC1(C)CCC(O)CC1n1ccc(=O)cc1.
What is the InChIKey of 1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one?
The InChIKey is HKHOWCWZTBLWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2)6-3-11(16)9-12(13)14-7-4-10(15)5-8-14/h4-5,7-8,11-12,16H,3,6,9H2,1-2H3.
What are the key properties of 1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one?
1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one has a molecular weight of 221.30 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one is sourced from PubChem (CID 165491790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).