4-acetyl-5-methylimidazol-2-one

C6H6N2O2 — CID 86308871

IUPAC4-acetyl-5-methylimidazol-2-one
SMILESCC(=O)C1=NC(=O)N=C1C
InChIInChI=1S/C6H6N2O2/c1-3-5(4(2)9)8-6(10)7-3/h1-2H3
InChIKeyGPPVJCGIKMZEJW-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.61
Rot. Bonds1

About 4-acetyl-5-methylimidazol-2-one

4-acetyl-5-methylimidazol-2-one (PubChem CID 86308871) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 4-acetyl-5-methylimidazol-2-one.

Molecular Properties

Compound Name4-acetyl-5-methylimidazol-2-one
PubChem CID86308871
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name4-acetyl-5-methylimidazol-2-one
SMILESCC(=O)C1=NC(=O)N=C1C
InChIInChI=1S/C6H6N2O2/c1-3-5(4(2)9)8-6(10)7-3/h1-2H3
InChIKeyGPPVJCGIKMZEJW-UHFFFAOYSA-N
XLogP0.61
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-acetyl-5-methylimidazol-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 4-acetyl-5-methylimidazol-2-one?
The IUPAC name of 4-acetyl-5-methylimidazol-2-one (CID 86308871) is 4-acetyl-5-methylimidazol-2-one.
What is the SMILES notation for 4-acetyl-5-methylimidazol-2-one?
The canonical SMILES for 4-acetyl-5-methylimidazol-2-one is CC(=O)C1=NC(=O)N=C1C.
What is the InChIKey of 4-acetyl-5-methylimidazol-2-one?
The InChIKey is GPPVJCGIKMZEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-3-5(4(2)9)8-6(10)7-3/h1-2H3.
What are the key properties of 4-acetyl-5-methylimidazol-2-one?
4-acetyl-5-methylimidazol-2-one has a molecular weight of 138.13 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-methylimidazol-2-one is sourced from PubChem (CID 86308871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).