2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

• ChemBase ID: 185740
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: c12[nH]c3c(c1CCCC2C(=O)N)cccc3
• Canonical SMILES: NC(=O)C1CCCc2c1[nH]c1c2cccc1
• InChI: InChI=1S/C13H14N2O/c14-13(16)10-6-3-5-9-8-4-1-2-7-11(8)15-12(9)10/h1-2,4,7,10,15H,3,5-6H2,(H2,14,16)
• InChIKey: YMLOFDJHJSQCSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
• IUPAC Traditional name: 2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

Database IDs

• PubChem SID: 164241650
• PubChem CID: 4262314

CALCULATED PROPERTIES

• Acid pKa: 15.609339
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.860065
• LogD (pH = 7.4): 1.860065
• Log P: 1.860065
• Molar Refractivity: 62.5663 cm^3
• Polarizability: 25.158495 Å^3
• Polar Surface Area: 58.88 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds