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

• ChemBase ID: 192788
• Molecular Formular: C20H18N2O2
• Molecular Mass: 318.36912
• Monoisotopic Mass: 318.13682783
• SMILES: N1(C(=O)C(c2cn(c3c2cccc3)C)CC1=O)c1cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)N1C(=O)CC(C1=O)c1cn(c2c1cccc2)C
• InChI: InChI=1S/C20H18N2O2/c1-13-6-5-7-14(10-13)22-19(23)11-16(20(22)24)17-12-21(2)18-9-4-3-8-15(17)18/h3-10,12,16H,11H2,1-2H3
• InChIKey: VLLNKNUCPLIXSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164248698
• PubChem CID: 2945248

CALCULATED PROPERTIES

• Acid pKa: 16.037693
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4008126
• LogD (pH = 7.4): 3.4008126
• Log P: 3.4008126
• Molar Refractivity: 92.6496 cm^3
• Polarizability: 36.568237 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