9-hydroxy-11-oxo-N-(propan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

• ChemBase ID: 190902
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: c1(c(=O)n2c3c(c1O)cccc3CC2)C(=O)NC(C)C
• Canonical SMILES: CC(NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3)C
• InChI: InChI=1S/C15H16N2O3/c1-8(2)16-14(19)11-13(18)10-5-3-4-9-6-7-17(12(9)10)15(11)20/h3-5,8,18H,6-7H2,1-2H3,(H,16,19)
• InChIKey: BAGRJQGQOKBQBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-hydroxy-11-oxo-N-(propan-2-yl)-1-azatricyclo[6.3.1.0^4,^1^2]dodeca-4(12),5,7,9-tetraene-10-carboxamide
• IUPAC Traditional name: 9-hydroxy-N-isopropyl-11-oxo-1-azatricyclo[6.3.1.0^4,^1^2]dodeca-4(12),5,7,9-tetraene-10-carboxamide

Database IDs

• PubChem SID: 164246812
• PubChem CID: 54676969

CALCULATED PROPERTIES

• Acid pKa: 6.3123684
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.4627811
• LogD (pH = 7.4): -0.58904743
• Log P: 0.52490956
• Molar Refractivity: 75.5576 cm^3
• Polarizability: 28.30295 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds