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

• ChemBase ID: 194375
• Molecular Formular: C22H16N2O2
• Molecular Mass: 340.37464
• Monoisotopic Mass: 340.12117776
• SMILES: N1(C(=O)C(c2c[nH]c3c2cccc3)CC1=O)c1cc2c(cc1)cccc2
• Canonical SMILES: O=C1CC(C(=O)N1c1ccc2c(c1)cccc2)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C22H16N2O2/c25-21-12-18(19-13-23-20-8-4-3-7-17(19)20)22(26)24(21)16-10-9-14-5-1-2-6-15(14)11-16/h1-11,13,18,23H,12H2
• InChIKey: ZRXQJXPBDMICKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250285
• PubChem CID: 2946008

CALCULATED PROPERTIES

• Acid pKa: 15.720802
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.653192
• LogD (pH = 7.4): 3.653192
• Log P: 3.653192
• Molar Refractivity: 99.1619 cm^3
• Polarizability: 40.614277 Å^3
• Polar Surface Area: 53.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds