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

• ChemBase ID: 198773
• Molecular Formular: C23H21N3O2
• Molecular Mass: 371.43174
• Monoisotopic Mass: 371.16337693
• SMILES: N1(C(=O)C(c2cn(c3c2cccc3)C)CC1=O)CCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C1CC(C(=O)N1CCc1c[nH]c2c1cccc2)c1cn(c2c1cccc2)C
• InChI: InChI=1S/C23H21N3O2/c1-25-14-19(17-7-3-5-9-21(17)25)18-12-22(27)26(23(18)28)11-10-15-13-24-20-8-4-2-6-16(15)20/h2-9,13-14,18,24H,10-12H2,1H3
• InChIKey: RJNKSWLRRCDLCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164254683
• PubChem CID: 4616176

CALCULATED PROPERTIES

• Acid pKa: 16.154858
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.341329
• LogD (pH = 7.4): 3.341329
• Log P: 3.341329
• Molar Refractivity: 108.2849 cm^3
• Polarizability: 43.741814 Å^3
• Polar Surface Area: 58.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds