1-(5-amino-2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one

• ChemBase ID: 306405
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: N1(c2c(CC1C)cc(cc2)N)C(=O)C
• Canonical SMILES: Nc1ccc2c(c1)CC(N2C(=O)C)C
• InChI: InChI=1S/C11H14N2O/c1-7-5-9-6-10(12)3-4-11(9)13(7)8(2)14/h3-4,6-7H,5,12H2,1-2H3
• InChIKey: AMGUMEGDMJDXLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-amino-2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
• IUPAC Traditional name: 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)ethanone
• Synonyms: 1-acetyl-2-methylindolin-5-amine

Database IDs

• CAS Number: 95545-03-2
• MDL Number: MFCD07643159

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.69249237
• LogD (pH = 7.4): 0.7024316
• Log P: 0.7025598
• Molar Refractivity: 56.4657 cm^3
• Polarizability: 21.137064 Å^3
• Polar Surface Area: 46.33 Å^2