5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid

• ChemBase ID: 306839
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: N1C(C(=O)O)Cc2c1ccc(c2)C
• Canonical SMILES: OC(=O)C1Cc2c(N1)ccc(c2)C
• InChI: InChI=1S/C10H11NO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-4,9,11H,5H2,1H3,(H,12,13)
• InChIKey: OSIPNOMHRFQTHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
• IUPAC Traditional name: 5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
• Synonyms: 5-methylindoline-2-carboxylic acid

Database IDs

• MDL Number: MFCD09055249

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.46077326
• LogD (pH = 7.4): -1.2034963
• Log P: 1.0573759
• Molar Refractivity: 50.4325 cm^3
• Polarizability: 18.54328 Å^3
• Polar Surface Area: 49.33 Å^2