3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one

C10H15NO3 — CID 10330338

IUPAC3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one
SMILESCCC(O)c1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C10H15NO3/c1-4-7(12)9-10(14)8(13)5-6(2)11(9)3/h5,7,12,14H,4H2,1-3H3
InChIKeyRAMBHTGKPWSBHE-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.84
Rot. Bonds2

About 3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one

3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one (PubChem CID 10330338) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one
PubChem CID10330338
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one
SMILESCCC(O)c1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C10H15NO3/c1-4-7(12)9-10(14)8(13)5-6(2)11(9)3/h5,7,12,14H,4H2,1-3H3
InChIKeyRAMBHTGKPWSBHE-UHFFFAOYSA-N
XLogP0.84
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-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 3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one?
The IUPAC name of 3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one (CID 10330338) is 3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one?
The canonical SMILES for 3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one is CCC(O)c1c(O)c(=O)cc(C)n1C.
What is the InChIKey of 3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one?
The InChIKey is RAMBHTGKPWSBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-7(12)9-10(14)8(13)5-6(2)11(9)3/h5,7,12,14H,4H2,1-3H3.
What are the key properties of 3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one?
3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one has a molecular weight of 197.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one is sourced from PubChem (CID 10330338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).