4,7,7-trimethyl-3-oxo-N'-phenylbicyclo[2.2.1]heptane-1-carbohydrazide

• ChemBase ID: 192878
• Molecular Formular: C17H22N2O2
• Molecular Mass: 286.36878
• Monoisotopic Mass: 286.16812795
• SMILES: C12(C(C(C(=O)C1)(CC2)C)(C)C)C(=O)NNc1ccccc1
• Canonical SMILES: O=C(C12CCC(C2(C)C)(C(=O)C1)C)NNc1ccccc1
• InChI: InChI=1S/C17H22N2O2/c1-15(2)16(3)9-10-17(15,11-13(16)20)14(21)19-18-12-7-5-4-6-8-12/h4-8,18H,9-11H2,1-3H3,(H,19,21)
• InChIKey: BOYHLQNNYGPZKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7,7-trimethyl-3-oxo-N'-phenylbicyclo[2.2.1]heptane-1-carbohydrazide
• IUPAC Traditional name: 4,7,7-trimethyl-3-oxo-N'-phenylbicyclo[2.2.1]heptane-1-carbohydrazide

Database IDs

• PubChem SID: 164248788
• PubChem CID: 4671536

CALCULATED PROPERTIES

• Acid pKa: 13.524481
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.3399858
• LogD (pH = 7.4): 3.3399854
• Log P: 3.3399858
• Molar Refractivity: 82.1871 cm^3
• Polarizability: 31.544622 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds