2-(2,3,4,9-tetrahydro-1H-carbazol-6-ylformamido)acetamide

• ChemBase ID: 195096
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: [nH]1c2c(c3c1ccc(c3)C(=O)NCC(=O)N)CCCC2
• Canonical SMILES: NC(=O)CNC(=O)c1ccc2c(c1)c1CCCCc1[nH]2
• InChI: InChI=1S/C15H17N3O2/c16-14(19)8-17-15(20)9-5-6-13-11(7-9)10-3-1-2-4-12(10)18-13/h5-7,18H,1-4,8H2,(H2,16,19)(H,17,20)
• InChIKey: LVZWJZRNKIQVMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3,4,9-tetrahydro-1H-carbazol-6-ylformamido)acetamide
• IUPAC Traditional name: 2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylformamido)acetamide

Database IDs

• PubChem SID: 164251006
• PubChem CID: 907072

CALCULATED PROPERTIES

• Acid pKa: 14.861436
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 1.0337127
• LogD (pH = 7.4): 1.0337127
• Log P: 1.0337127
• Molar Refractivity: 76.5401 cm^3
• Polarizability: 29.73057 Å^3
• Polar Surface Area: 87.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds