N-[(1Z)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]hydroxylamine

• ChemBase ID: 120061
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: c12[nH]c3c(c1CCC/C/2=N/O)cc(cc3)OC
• Canonical SMILES: O/N=C\1/CCCc2c1[nH]c1c2cc(cc1)OC
• InChI: InChI=1S/C13H14N2O2/c1-17-8-5-6-11-10(7-8)9-3-2-4-12(15-16)13(9)14-11/h5-7,14,16H,2-4H2,1H3/b15-12-
• InChIKey: QJGBCDCTUCRFQO-QINSGFPZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1Z)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]hydroxylamine
• IUPAC Traditional name: N-[(1Z)-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene]hydroxylamine
• Synonyms: (Z)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one oxime

Database IDs

• PubChem SID: 162214414
• PubChem CID: 49651896

CALCULATED PROPERTIES

• Acid pKa: 12.434557
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.1510744
• LogD (pH = 7.4): 2.1516845
• Log P: 2.1516962
• Molar Refractivity: 65.5756 cm^3
• Polarizability: 26.019157 Å^3
• Polar Surface Area: 57.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds