1-(2-aminophenyl)pyrrolidine-2,5-dione

• ChemBase ID: 273537
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: N1(C(=O)CCC1=O)c1c(N)cccc1
• Canonical SMILES: O=C1CCC(=O)N1c1ccccc1N
• InChI: InChI=1S/C10H10N2O2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-4H,5-6,11H2
• InChIKey: AKFYFUDAHYYAPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminophenyl)pyrrolidine-2,5-dione
• IUPAC Traditional name: 1-(2-aminophenyl)pyrrolidine-2,5-dione
• Synonyms: 1-(2-aminophenyl)pyrrolidine-2,5-dione

Database IDs

• MDL Number: MFCD00022591
• PubChem SID: 164329447
• PubChem CID: 825294

CALCULATED PROPERTIES

• Acid pKa: 17.15569
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.058679853
• LogD (pH = 7.4): 0.05922998
• Log P: 0.059237
• Molar Refractivity: 51.6561 cm^3
• Polarizability: 19.388166 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231 - 233°C
• Hydrophobicity(logP): -1.264

Product Information

• Purity: 95%