(3Z)-3-(1H-indol-3-ylmethylidene)-1-methyl-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 220153
• Molecular Formular: C18H14N2O
• Molecular Mass: 274.31656
• Monoisotopic Mass: 274.11061308
• SMILES: C\1(=C/c2c[nH]c3c2cccc3)/C(=O)N(c2c1cccc2)C
• Canonical SMILES: CN1c2ccccc2/C(=C/c2c[nH]c3c2cccc3)/C1=O
• InChI: InChI=1S/C18H14N2O/c1-20-17-9-5-3-7-14(17)15(18(20)21)10-12-11-19-16-8-4-2-6-13(12)16/h2-11,19H,1H3/b15-10-
• InChIKey: SPSUOQCUCNGXQR-GDNBJRDFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3Z)-3-(1H-indol-3-ylmethylidene)-1-methyl-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: (3Z)-3-(1H-indol-3-ylmethylidene)-1-methylindol-2-one

Database IDs

• PubChem SID: 164276063
• PubChem CID: 5428333

CALCULATED PROPERTIES

• Molar Refractivity: 83.9337 cm^3
• Polarizability: 32.9307 Å^3
• Polar Surface Area: 36.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 15.991101
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.228058
• LogD (pH = 7.4): 3.228058
• Log P: 3.228058

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds