1-phenylpyrrolidine-2,5-dione

• ChemBase ID: 107820
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: O=C1CCC(=O)N1c1ccccc1
• Canonical SMILES: O=C1CCC(=O)N1c1ccccc1
• InChI: InChI=1S/C10H9NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-5H,6-7H2
• InChIKey: ZTUKZULGOCFJET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylpyrrolidine-2,5-dione
• IUPAC Traditional name: N-phenylsuccinimide
• Synonyms: N-PHENYL SUCCINIMIDE

Database IDs

• CAS Number: 83-25-0
• PubChem SID: 162093536
• PubChem CID: 66519

CALCULATED PROPERTIES

• Acid pKa: 17.17424
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.888163
• LogD (pH = 7.4): 0.888163
• Log P: 0.888163
• Molar Refractivity: 46.9557 cm^3
• Polarizability: 18.234413 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05205136

MP Biomedicals Rare Chemical collection