3-(1-methyl-1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione

• ChemBase ID: 191560
• Molecular Formular: C19H16N2O2
• Molecular Mass: 304.34254
• Monoisotopic Mass: 304.12117776
• SMILES: N1(C(=O)C(c2cn(c3c2cccc3)C)CC1=O)c1ccccc1
• Canonical SMILES: O=C1CC(C(=O)N1c1ccccc1)c1cn(c2c1cccc2)C
• InChI: InChI=1S/C19H16N2O2/c1-20-12-16(14-9-5-6-10-17(14)20)15-11-18(22)21(19(15)23)13-7-3-2-4-8-13/h2-10,12,15H,11H2,1H3
• InChIKey: OMOHNWSTCNNPQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-methyl-1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione
• IUPAC Traditional name: 3-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,5-dione

Database IDs

• PubChem SID: 164247470
• PubChem CID: 4309666

CALCULATED PROPERTIES

• Acid pKa: 16.038067
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8873913
• LogD (pH = 7.4): 2.8873913
• Log P: 2.8873913
• Molar Refractivity: 87.6084 cm^3
• Polarizability: 34.802048 Å^3
• Polar Surface Area: 42.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds