1-phenyl-3-(2-phenylhydrazin-1-yl)pyrrolidine-2,5-dione

• ChemBase ID: 61026
• Molecular Formular: C16H15N3O2
• Molecular Mass: 281.3092
• Monoisotopic Mass: 281.11642674
• SMILES: N1(C(=O)CC(C1=O)NNc1ccccc1)c1ccccc1
• Canonical SMILES: O=C1CC(C(=O)N1c1ccccc1)NNc1ccccc1
• InChI: InChI=1S/C16H15N3O2/c20-15-11-14(18-17-12-7-3-1-4-8-12)16(21)19(15)13-9-5-2-6-10-13/h1-10,14,17-18H,11H2
• InChIKey: HYALHRNUPPOXRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-3-(2-phenylhydrazin-1-yl)pyrrolidine-2,5-dione
• IUPAC Traditional name: 1-phenyl-3-(2-phenylhydrazin-1-yl)pyrrolidine-2,5-dione
• Synonyms: 1-Phenyl-3-(2-phenylhydrazino)pyrrolidine-2,5-dione

Database IDs

• MDL Number: MFCD00701313
• PubChem SID: 162026767
• PubChem CID: 3731496

CALCULATED PROPERTIES

• Acid pKa: 11.459071
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.238177
• LogD (pH = 7.4): 2.279554
• Log P: 2.2801461
• Molar Refractivity: 90.1248 cm^3
• Polarizability: 30.386469 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false