1,5-dimethyl-2,3-dihydro-1H-indole-2,3-dione

• ChemBase ID: 307770
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: C1(=O)N(c2c(C1=O)cc(cc2)C)C
• Canonical SMILES: Cc1ccc2c(c1)C(=O)C(=O)N2C
• InChI: InChI=1S/C10H9NO2/c1-6-3-4-8-7(5-6)9(12)10(13)11(8)2/h3-5H,1-2H3
• InChIKey: XRSLHTIRZNFPFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dimethyl-2,3-dihydro-1H-indole-2,3-dione
• IUPAC Traditional name: 1,5-dimethylindole-2,3-dione
• Synonyms: 1,5-dimethyl-1H-indole-2,3-dione

Database IDs

• CAS Number: 66440-60-6
• MDL Number: MFCD00565657

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.329031
• LogD (pH = 7.4): 1.329031
• Log P: 1.329031
• Molar Refractivity: 48.6321 cm^3
• Polarizability: 18.137611 Å^3
• Polar Surface Area: 37.38 Å^2