(3Z)-3-[(6-methoxy-1H-indol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 224572
• Molecular Formular: C18H14N2O2
• Molecular Mass: 290.31596
• Monoisotopic Mass: 290.1055277
• SMILES: C\1(=C/c2c3c([nH]c2)cc(cc3)OC)/C(=O)Nc2c1cccc2
• Canonical SMILES: COc1ccc2c(c1)[nH]cc2/C=C/1\C(=O)Nc2c1cccc2
• InChI: InChI=1S/C18H14N2O2/c1-22-12-6-7-13-11(10-19-17(13)9-12)8-15-14-4-2-3-5-16(14)20-18(15)21/h2-10,19H,1H3,(H,20,21)/b15-8-
• InChIKey: VBCKSGCNQFNTJJ-NVNXTCNLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3Z)-3-[(6-methoxy-1H-indol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: (3Z)-3-[(6-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one

Database IDs

• PubChem SID: 164280482
• PubChem CID: 52905103

CALCULATED PROPERTIES

• Acid pKa: 11.310325
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.2063203
• LogD (pH = 7.4): 3.2062702
• Log P: 3.2063208
• Molar Refractivity: 87.281 cm^3
• Polarizability: 33.561718 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds