2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

• ChemBase ID: 798270
• Molecular Formular: C12H14N2O2
• Molecular Mass: 218.25176
• Monoisotopic Mass: 218.1055277
• SMILES: N1(C(=O)CC(C1)c1ccccc1)CC(=O)N
• Canonical SMILES: NC(=O)CN1CC(CC1=O)c1ccccc1
• InChI: InChI=1S/C12H14N2O2/c13-11(15)8-14-7-10(6-12(14)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)
• InChIKey: LYONXVJRBWWGQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
• IUPAC Traditional name: phenylpiracetam
• Synonyms: 4-Phenyl-2-pyrrolidone-1-acetamide

Database IDs

• CAS Number: 77472-70-9

CALCULATED PROPERTIES

• Acid pKa: 16.061972
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.18611576
• LogD (pH = 7.4): -0.18611574
• Log P: -0.18611574
• Molar Refractivity: 59.628 cm^3
• Polarizability: 23.070845 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%