3-hydroxy-1-methyl-3-(2-oxo-2,3-dihydro-1H-indol-3-yl)-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 223816
• Molecular Formular: C17H14N2O3
• Molecular Mass: 294.30466
• Monoisotopic Mass: 294.10044232
• SMILES: C1(C2C(=O)Nc3c2cccc3)(C(=O)N(c2c1cccc2)C)O
• Canonical SMILES: O=C1Nc2c(C1C1(O)c3ccccc3N(C1=O)C)cccc2
• InChI: InChI=1S/C17H14N2O3/c1-19-13-9-5-3-7-11(13)17(22,16(19)21)14-10-6-2-4-8-12(10)18-15(14)20/h2-9,14,22H,1H3,(H,18,20)
• InChIKey: TYWPDUSFRIHFTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-1-methyl-3-(2-oxo-2,3-dihydro-1H-indol-3-yl)-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: 3-hydroxy-1-methyl-3-(2-oxo-1,3-dihydroindol-3-yl)indol-2-one

Database IDs

• PubChem SID: 164279726
• PubChem CID: 49652513

CALCULATED PROPERTIES

• Acid pKa: 10.906248
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1497564
• LogD (pH = 7.4): 1.1496229
• Log P: 1.1497581
• Molar Refractivity: 81.6765 cm^3
• Polarizability: 30.681114 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds