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

• ChemBase ID: 307084
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: N1(C(=O)C(c2c1cccc2)N)C
• Canonical SMILES: O=C1C(N)c2c(N1C)cccc2
• InChI: InChI=1S/C9H10N2O/c1-11-7-5-3-2-4-6(7)8(10)9(11)12/h2-5,8H,10H2,1H3
• InChIKey: NZWLKZYQAQNZJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 121974-35-4
• MDL Number: MFCD08282684

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8511131
• LogD (pH = 7.4): -0.23892342
• Log P: 0.114075996
• Molar Refractivity: 45.6965 cm^3
• Polarizability: 17.83779 Å^3
• Polar Surface Area: 46.33 Å^2