3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one

C7H9NO2 — CID 118352700

IUPAC3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1CO
InChIInChI=1S/C7H9NO2/c1-5-2-3-8-7(10)6(5)4-9/h2-3,9H,4H2,1H3,(H,8,10)
InChIKeyXCCFRGIUFGUZBW-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.18
Rot. Bonds1

About 3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one

3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one (PubChem CID 118352700) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one
PubChem CID118352700
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1CO
InChIInChI=1S/C7H9NO2/c1-5-2-3-8-7(10)6(5)4-9/h2-3,9H,4H2,1H3,(H,8,10)
InChIKeyXCCFRGIUFGUZBW-UHFFFAOYSA-N
XLogP0.18
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(hydroxymethyl)-4-methyl-1H-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

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one (CID 118352700) is 3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one is Cc1cc[nH]c(=O)c1CO.
What is the InChIKey of 3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one?
The InChIKey is XCCFRGIUFGUZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-2-3-8-7(10)6(5)4-9/h2-3,9H,4H2,1H3,(H,8,10).
What are the key properties of 3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one?
3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one has a molecular weight of 139.15 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118352700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).