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

• ChemBase ID: 220072
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: c1(C2C(=O)N(C(=O)C2)C)cn(c2c1cccc2)C
• Canonical SMILES: O=C1CC(C(=O)N1C)c1cn(c2c1cccc2)C
• InChI: InChI=1S/C14H14N2O2/c1-15-8-11(9-5-3-4-6-12(9)15)10-7-13(17)16(2)14(10)18/h3-6,8,10H,7H2,1-2H3
• InChIKey: LVULRQLQZAWRIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275982
• PubChem CID: 17571926

CALCULATED PROPERTIES

• Acid pKa: 19.33748
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2294328
• LogD (pH = 7.4): 1.2294328
• Log P: 1.2294328
• Molar Refractivity: 67.8308 cm^3
• Polarizability: 27.047297 Å^3
• Polar Surface Area: 42.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds