6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-2,3-dione

• ChemBase ID: 60660
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: N12C(=O)C(=O)c3c1c(C(=CC2(C)C)C)cc(c3)C
• Canonical SMILES: Cc1cc2C(=CC(N3c2c(c1)C(=O)C3=O)(C)C)C
• InChI: InChI=1S/C15H15NO2/c1-8-5-10-9(2)7-15(3,4)16-12(10)11(6-8)13(17)14(16)18/h5-7H,1-4H3
• InChIKey: RDLYBUUOPNXVDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.0^4,^1^2]dodeca-4(12),5,7,9-tetraene-2,3-dione; 6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7,9-tetraene-2,3-dione
• IUPAC Traditional name: 6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.0^4,^1^2]dodeca-4(12),5,7,9-tetraene-2,3-dione; 6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7,9-tetraene-2,3-dione
• Synonyms: 4,4,6,8-Tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione

Database IDs

• MDL Number: MFCD02738092
• PubChem SID: 162026401
• PubChem CID: 2912688

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6867204
• LogD (pH = 7.4): 2.6867204
• Log P: 2.6867204
• Molar Refractivity: 70.8443 cm^3
• Polarizability: 26.43706 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Classification: Derivatives & analogs of Natural Compounds