3-(1-ethyl-1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione

• ChemBase ID: 201744
• Molecular Formular: C20H18N2O2
• Molecular Mass: 318.36912
• Monoisotopic Mass: 318.13682783
• SMILES: N1(C(=O)C(c2cn(c3c2cccc3)CC)CC1=O)c1ccccc1
• Canonical SMILES: CCn1cc(c2c1cccc2)C1CC(=O)N(C1=O)c1ccccc1
• InChI: InChI=1S/C20H18N2O2/c1-2-21-13-17(15-10-6-7-11-18(15)21)16-12-19(23)22(20(16)24)14-8-4-3-5-9-14/h3-11,13,16H,2,12H2,1H3
• InChIKey: RJFUMUUJPFDMOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-ethyl-1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione
• IUPAC Traditional name: 3-(1-ethylindol-3-yl)-1-phenylpyrrolidine-2,5-dione

Database IDs

• PubChem SID: 164257654
• PubChem CID: 4662971

CALCULATED PROPERTIES

• Acid pKa: 16.03806
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2441993
• LogD (pH = 7.4): 3.2441993
• Log P: 3.2441993
• Molar Refractivity: 92.357 cm^3
• Polarizability: 36.647415 Å^3
• Polar Surface Area: 42.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds