1-(2-methylprop-2-en-1-yl)-2,3-dihydro-1H-indole-2,3-dione

• ChemBase ID: 183793
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: N1(C(=O)C(=O)c2c1cccc2)CC(=C)C
• Canonical SMILES: CC(=C)CN1c2ccccc2C(=O)C1=O
• InChI: InChI=1S/C12H11NO2/c1-8(2)7-13-10-6-4-3-5-9(10)11(14)12(13)15/h3-6H,1,7H2,2H3
• InChIKey: XUBDXXUUQMKNFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylprop-2-en-1-yl)-2,3-dihydro-1H-indole-2,3-dione
• IUPAC Traditional name: 1-(2-methylprop-2-en-1-yl)indole-2,3-dione

Database IDs

• PubChem SID: 164239703
• PubChem CID: 1771094

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7902207
• LogD (pH = 7.4): 1.7902207
• Log P: 1.7902207
• Molar Refractivity: 57.0356 cm^3
• Polarizability: 21.647272 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds