(1R,6S)-bicyclo[4.1.0]heptane-7-carbohydrazide

• ChemBase ID: 120364
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: [C@@H]12[C@@H](C1C(=O)NN)CCCC2
• Canonical SMILES: NNC(=O)C1[C@@H]2[C@H]1CCCC2
• InChI: InChI=1S/C8H14N2O/c9-10-8(11)7-5-3-1-2-4-6(5)7/h5-7H,1-4,9H2,(H,10,11)/t5-,6+,7?
• InChIKey: NLGTWUMUVALTKA-MEKDEQNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,6S)-bicyclo[4.1.0]heptane-7-carbohydrazide
• IUPAC Traditional name: (1R,6S)-bicyclo[4.1.0]heptane-7-carbohydrazide
• Synonyms: (1R,6S,7r)-bicyclo[4.1.0]heptane-7-carbohydrazide

Database IDs

• PubChem SID: 162214717
• PubChem CID: 683664

CALCULATED PROPERTIES

• Acid pKa: 13.086979
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.44997212
• LogD (pH = 7.4): 0.4524493
• Log P: 0.45248184
• Molar Refractivity: 42.8462 cm^3
• Polarizability: 16.648342 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true