N-(2-oxopyrrolidin-3-yl)benzamide

• ChemBase ID: 814456
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: c1(ccccc1)C(=O)NC1C(=O)NCC1
• Canonical SMILES: O=C(c1ccccc1)NC1CCNC1=O
• InChI: InChI=1S/C11H12N2O2/c14-10(8-4-2-1-3-5-8)13-9-6-7-12-11(9)15/h1-5,9H,6-7H2,(H,12,15)(H,13,14)
• InChIKey: RSHFEKLGJRYQKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-oxopyrrolidin-3-yl)benzamide
• IUPAC Traditional name: N-(2-oxopyrrolidin-3-yl)benzamide
• Synonyms: N-(2-oxopyrrolidin-3-yl)benzamide

CALCULATED PROPERTIES

• Acid pKa: 13.866143
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.04266993
• LogD (pH = 7.4): 0.04266989
• Log P: 0.04267002
• Molar Refractivity: 55.4783 cm^3
• Polarizability: 21.022741 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%