7-amino-2,3,4,9-tetrahydro-1H-carbazol-1-one

• ChemBase ID: 308647
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c12[nH]c3c(c1CCCC2=O)ccc(c3)N
• Canonical SMILES: Nc1ccc2c(c1)[nH]c1c2CCCC1=O
• InChI: InChI=1S/C12H12N2O/c13-7-4-5-8-9-2-1-3-11(15)12(9)14-10(8)6-7/h4-6,14H,1-3,13H2
• InChIKey: VSPRWBIYAAFWNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-amino-2,3,4,9-tetrahydro-1H-carbazol-1-one
• IUPAC Traditional name: 7-amino-2,3,4,9-tetrahydrocarbazol-1-one
• Synonyms: 7-amino-2,3,4,9-tetrahydro-1H-carbazol-1-one

Database IDs

• CAS Number: 936074-69-0
• MDL Number: MFCD09743354

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.465097
• LogD (pH = 7.4): 1.4708866
• Log P: 1.4709618
• Molar Refractivity: 59.9911 cm^3
• Polarizability: 23.381075 Å^3
• Polar Surface Area: 58.88 Å^2