(10R)-4,4,10-trimethyl-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11(16),12,14-tetraene-6,8-dione

• ChemBase ID: 184856
• Molecular Formular: C20H23NO2
• Molecular Mass: 309.40212
• Monoisotopic Mass: 309.17287898
• SMILES: C12=C(N3[C@](CC1=O)(c1c(CC3)cccc1)C)CC(CC2=O)(C)C
• Canonical SMILES: O=C1C[C@@]2(C)N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cccc1
• InChI: InChI=1S/C20H23NO2/c1-19(2)10-15-18(16(22)11-19)17(23)12-20(3)14-7-5-4-6-13(14)8-9-21(15)20/h4-7H,8-12H2,1-3H3/t20-/m1/s1
• InChIKey: KKOOAOKFFRJNEJ-HXUWFJFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (10R)-4,4,10-trimethyl-1-azatetracyclo[8.8.0.0^2,^7.0^1^1,^1^6]octadeca-2(7),11(16),12,14-tetraene-6,8-dione
• IUPAC Traditional name: (10R)-4,4,10-trimethyl-1-azatetracyclo[8.8.0.0^2,^7.0^1^1,^1^6]octadeca-2(7),11(16),12,14-tetraene-6,8-dione

Database IDs

• PubChem SID: 164240766
• PubChem CID: 928794

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 17.78354
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2745075
• LogD (pH = 7.4): 3.3831165
• Log P: 3.3846927
• Molar Refractivity: 92.1338 cm^3
• Polarizability: 34.881813 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds