(8E,10S)-8-(methoxyimino)-4,4-dimethyl-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11(16),12,14-tetraen-6-one

• ChemBase ID: 180885
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: C12=C(N3[C@@H](C/C/1=N\OC)c1c(CC3)cccc1)CC(CC2=O)(C)C
• Canonical SMILES: CO/N=C/1\C[C@@H]2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cccc1
• InChI: InChI=1S/C20H24N2O2/c1-20(2)11-17-19(18(23)12-20)15(21-24-3)10-16-14-7-5-4-6-13(14)8-9-22(16)17/h4-7,16H,8-12H2,1-3H3/b21-15+/t16-/m0/s1
• InChIKey: HSLKXDDUTUINKS-WASCAKKMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8E,10S)-8-(methoxyimino)-4,4-dimethyl-1-azatetracyclo[8.8.0.0^2,^7.0^1^1,^1^6]octadeca-2(7),11(16),12,14-tetraen-6-one
• IUPAC Traditional name: (8E,10S)-8-(methoxyimino)-4,4-dimethyl-1-azatetracyclo[8.8.0.0^2,^7.0^1^1,^1^6]octadeca-2(7),11(16),12,14-tetraen-6-one

Database IDs

• PubChem SID: 164236795
• PubChem CID: 9557672

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.891117
• LogD (pH = 7.4): 3.4757018
• Log P: 3.4915566
• Molar Refractivity: 95.7996 cm^3
• Polarizability: 36.227413 Å^3
• Polar Surface Area: 41.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds