3-acetyl-4-hydroxy-1H-pyridin-2-one

C7H7NO3 — CID 54676119

IUPAC3-acetyl-4-hydroxy-1H-pyridin-2-one
SMILESCC(=O)c1c(O)cc[nH]c1=O
InChIInChI=1S/C7H7NO3/c1-4(9)6-5(10)2-3-8-7(6)11/h2-3H,1H3,(H2,8,10,11)
InChIKeyKMLHSJZJTYJEEM-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.28
Rot. Bonds1

About 3-acetyl-4-hydroxy-1H-pyridin-2-one

3-acetyl-4-hydroxy-1H-pyridin-2-one (PubChem CID 54676119) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-1H-pyridin-2-one
PubChem CID54676119
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name3-acetyl-4-hydroxy-1H-pyridin-2-one
SMILESCC(=O)c1c(O)cc[nH]c1=O
InChIInChI=1S/C7H7NO3/c1-4(9)6-5(10)2-3-8-7(6)11/h2-3H,1H3,(H2,8,10,11)
InChIKeyKMLHSJZJTYJEEM-UHFFFAOYSA-N
XLogP0.28
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-acetyl-4-hydroxy-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-acetyl-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 3-acetyl-4-hydroxy-1H-pyridin-2-one (CID 54676119) is 3-acetyl-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 3-acetyl-4-hydroxy-1H-pyridin-2-one is CC(=O)c1c(O)cc[nH]c1=O.
What is the InChIKey of 3-acetyl-4-hydroxy-1H-pyridin-2-one?
The InChIKey is KMLHSJZJTYJEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-4(9)6-5(10)2-3-8-7(6)11/h2-3H,1H3,(H2,8,10,11).
What are the key properties of 3-acetyl-4-hydroxy-1H-pyridin-2-one?
3-acetyl-4-hydroxy-1H-pyridin-2-one has a molecular weight of 153.14 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 54676119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).