1-acetylpyrrolidine-2,5-dione

• ChemBase ID: 102922
• Molecular Formular: C6H7NO3
• Molecular Mass: 141.12468
• Monoisotopic Mass: 141.04259309
• SMILES: CC(=O)N1C(=O)CCC1=O
• Canonical SMILES: CC(=O)N1C(=O)CCC1=O
• InChI: InChI=1S/C6H7NO3/c1-4(8)7-5(9)2-3-6(7)10/h2-3H2,1H3
• InChIKey: RHLBOBPOIZROJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-acetylpyrrolidine-2,5-dione
• IUPAC Traditional name: 1-acetylpyrrolidine-2,5-dione
• Synonyms: N-ACETYLSUCCINIMIDE; N-ACETYL SUCCINIMIDE

Database IDs

• CAS Number: 144-80-9; 3027-06-3
• PubChem SID: 162089371
• PubChem CID: 11457741

CALCULATED PROPERTIES

• Acid pKa: 18.259218
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0048633
• LogD (pH = 7.4): -1.0048633
• Log P: -1.0048633
• Molar Refractivity: 31.8473 cm^3
• Polarizability: 12.541287 Å^3
• Polar Surface Area: 54.45 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C, Desiccate

DETAILS

MP Biomedicals - 05217029

MP Biomedicals Rare Chemical collection