(1S,9R)-N,N-dimethyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

• ChemBase ID: 216033
• Molecular Formular: C14H19N3O2
• Molecular Mass: 261.31956
• Monoisotopic Mass: 261.14772686
• SMILES: n12c([C@@H]3CN(C(=O)N(C)C)C[C@H](C2)C3)cccc1=O
• Canonical SMILES: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)N(C)C
• InChI: InChI=1S/C14H19N3O2/c1-15(2)14(19)16-7-10-6-11(9-16)12-4-3-5-13(18)17(12)8-10/h3-5,10-11H,6-9H2,1-2H3
• InChIKey: ILOSIOKAFLIURU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,9R)-N,N-dimethyl-6-oxo-7,11-diazatricyclo[7.3.1.0^2,^7]trideca-2,4-diene-11-carboxamide
• IUPAC Traditional name: (1S,9R)-N,N-dimethyl-6-oxo-7,11-diazatricyclo[7.3.1.0^2,^7]trideca-2,4-diene-11-carboxamide

Database IDs

• PubChem SID: 164271943
• PubChem CID: 1780151

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.55610526
• LogD (pH = 7.4): -0.5561047
• Log P: -0.5561047
• Molar Refractivity: 74.9643 cm^3
• Polarizability: 27.418186 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds