9,11,11-trimethyl-12-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7,9-tetraene-13,14-dione

• ChemBase ID: 225942
• Molecular Formular: C17H17NO2
• Molecular Mass: 267.32238
• Monoisotopic Mass: 267.12592879
• SMILES: N12C(=O)C(=O)c3c1c(C(=CC2(C)C)C)cc1c3CCC1
• Canonical SMILES: CC1=CC(C)(C)N2c3c1cc1CCCc1c3C(=O)C2=O
• InChI: InChI=1S/C17H17NO2/c1-9-8-17(2,3)18-14-12(9)7-10-5-4-6-11(10)13(14)15(19)16(18)20/h7-8H,4-6H2,1-3H3
• InChIKey: PZCWTSLIEMAILV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,11,11-trimethyl-12-azatetracyclo[6.6.1.0^2,^6.0^1^2,^1^5]pentadeca-1(15),2(6),7,9-tetraene-13,14-dione
• IUPAC Traditional name: 9,11,11-trimethyl-12-azatetracyclo[6.6.1.0^2,^6.0^1^2,^1^5]pentadeca-1(15),2(6),7,9-tetraene-13,14-dione

Database IDs

• PubChem SID: 164281852
• PubChem CID: 1788382

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1809845
• LogD (pH = 7.4): 3.1809845
• Log P: 3.1809845
• Molar Refractivity: 78.6843 cm^3
• Polarizability: 29.31332 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds