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

• ChemBase ID: 183061
• Molecular Formular: C19H21NO2
• Molecular Mass: 295.37554
• Monoisotopic Mass: 295.15722892
• SMILES: C12=C(N3[C@](CC1=O)(c1c(CC3)cccc1)C)CC(CC2=O)C
• Canonical SMILES: CC1CC(=O)C2=C(C1)N1CCc3c([C@]1(CC2=O)C)cccc3
• InChI: InChI=1S/C19H21NO2/c1-12-9-15-18(16(21)10-12)17(22)11-19(2)14-6-4-3-5-13(14)7-8-20(15)19/h3-6,12H,7-11H2,1-2H3/t12?,19-/m1/s1
• InChIKey: LIJVPONAUFDLFP-FKWGRNQDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (10R)-4,10-dimethyl-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)-4,10-dimethyl-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: 164238971
• PubChem CID: 16395604

CALCULATED PROPERTIES

• Acid pKa: 17.767384
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0063388
• LogD (pH = 7.4): 3.0835667
• Log P: 3.0846457
• Molar Refractivity: 87.6587 cm^3
• Polarizability: 33.03888 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diastereomers
• Classification: Derivatives & analogs of Natural Compounds