3-amino-5-methyl-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 307097
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: C1(=O)Nc2c(C1N)cc(cc2)C
• Canonical SMILES: O=C1Nc2c(C1N)cc(cc2)C
• InChI: InChI=1S/C9H10N2O/c1-5-2-3-7-6(4-5)8(10)9(12)11-7/h2-4,8H,10H2,1H3,(H,11,12)
• InChIKey: FUHGCDMBTBHYJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5-methyl-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: 3-amino-5-methyl-1,3-dihydroindol-2-one
• Synonyms: 3-amino-5-methyl-1,3-dihydro-2H-indol-2-one

Database IDs

• MDL Number: MFCD08691523

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2439241
• LogD (pH = 7.4): 0.38379022
• Log P: 0.7634313
• Molar Refractivity: 47.6218 cm^3
• Polarizability: 17.760845 Å^3
• Polar Surface Area: 55.12 Å^2