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

• ChemBase ID: 189223
• Molecular Formular: C19H16N2O3
• Molecular Mass: 320.34194
• Monoisotopic Mass: 320.11609238
• SMILES: N1(C(=O)C(c2c[nH]c3c2cccc3)CC1=O)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1N1C(=O)CC(C1=O)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C19H16N2O3/c1-24-17-9-5-4-8-16(17)21-18(22)10-13(19(21)23)14-11-20-15-7-3-2-6-12(14)15/h2-9,11,13,20H,10H2,1H3
• InChIKey: QCMFDRFYNIJLML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164245133
• PubChem CID: 3798688

CALCULATED PROPERTIES

• Polar Surface Area: 62.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.697843
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.506044
• LogD (pH = 7.4): 2.506044
• Log P: 2.506044
• Molar Refractivity: 89.1749 cm^3
• Polarizability: 35.542988 Å^3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds