1-acetylpyrrolidin-2-one

• ChemBase ID: 112276
• Molecular Formular: C6H9NO2
• Molecular Mass: 127.14116
• Monoisotopic Mass: 127.06332853
• SMILES: CC(=O)N1CCCC1=O
• Canonical SMILES: CC(=O)N1CCCC1=O
• InChI: InChI=1S/C6H9NO2/c1-5(8)7-4-2-3-6(7)9/h2-4H2,1H3
• InChIKey: YLHUPYSUKYAIBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-acetylpyrrolidin-2-one
• IUPAC Traditional name: 2-pyrrolidinone, 1-acetyl-
• Synonyms: N-ACETYL-2-PYRROLIDONE

Database IDs

• CAS Number: 932-17-2
• EC Number: 213-248-1
• PubChem SID: 162098258
• PubChem CID: 70266

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.591001
• LogD (pH = 7.4): -0.591001
• Log P: -0.591001
• Molar Refractivity: 31.8238 cm^3
• Polarizability: 12.384712 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: UY5717000

DETAILS

MP Biomedicals - 05223263

MP Biomedicals Rare Chemical collection