1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one

C13H19NO2 — CID 54724191

IUPAC1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one
SMILESCc1c(O)cc(C)n(C2CCCCC2)c1=O
InChIInChI=1S/C13H19NO2/c1-9-8-12(15)10(2)13(16)14(9)11-6-4-3-5-7-11/h8,11,15H,3-7H2,1-2H3
InChIKeyJTTRMRKOEYMWFI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.68
Rot. Bonds1

About 1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one

1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one (PubChem CID 54724191) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one
PubChem CID54724191
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one
SMILESCc1c(O)cc(C)n(C2CCCCC2)c1=O
InChIInChI=1S/C13H19NO2/c1-9-8-12(15)10(2)13(16)14(9)11-6-4-3-5-7-11/h8,11,15H,3-7H2,1-2H3
InChIKeyJTTRMRKOEYMWFI-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one?
The IUPAC name of 1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one (CID 54724191) is 1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one?
The canonical SMILES for 1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one is Cc1c(O)cc(C)n(C2CCCCC2)c1=O.
What is the InChIKey of 1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one?
The InChIKey is JTTRMRKOEYMWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-8-12(15)10(2)13(16)14(9)11-6-4-3-5-7-11/h8,11,15H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one?
1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-hydroxy-3,6-dimethylpyridin-2-one is sourced from PubChem (CID 54724191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).