N-[(1R,2R,3Z,5R)-2-[(1Z)-1-(hydroxyimino)ethyl]-6,6-dimethylbicyclo[3.1.0]hexan-3-ylidene]hydroxylamine

• ChemBase ID: 185871
• Molecular Formular: C10H16N2O2
• Molecular Mass: 196.24624
• Monoisotopic Mass: 196.12117776
• SMILES: C1([C@@H]2[C@H]1C/C(=N\O)/[C@@H]2/C(=N\O)/C)(C)C
• Canonical SMILES: O/N=C(\[C@H]1/C(=N/O)/C[C@@H]2[C@H]1C2(C)C)/C
• InChI: InChI=1S/C10H16N2O2/c1-5(11-13)8-7(12-14)4-6-9(8)10(6,2)3/h6,8-9,13-14H,4H2,1-3H3/b11-5-,12-7+/t6-,8-,9-/m1/s1
• InChIKey: HZNCCVUDDGMZDN-YUGNVOKSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R,3Z,5R)-2-[(1Z)-1-(hydroxyimino)ethyl]-6,6-dimethylbicyclo[3.1.0]hexan-3-ylidene]hydroxylamine
• IUPAC Traditional name: N-[(1R,2R,3Z,5R)-2-[(1Z)-1-(hydroxyimino)ethyl]-6,6-dimethylbicyclo[3.1.0]hexan-3-ylidene]hydroxylamine

Database IDs

• PubChem SID: 164241781
• PubChem CID: 71753100

CALCULATED PROPERTIES

• Acid pKa: 9.760056
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3793932
• LogD (pH = 7.4): 1.3777925
• Log P: 1.3796995
• Molar Refractivity: 52.8503 cm^3
• Polarizability: 20.54977 Å^3
• Polar Surface Area: 65.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds