9,12-Dimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,11-tetraen-10-one
Basic information
- CAS
21271-00-1- Standard SMILES
CC1=CC2C(=O)N(C)C1c1ccccc12- InChIKey
FJNKRZASRUTEKU-UHFFFAOYSA-N- Molecular formula
- C13H13NO
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.09971404
Names & identifiers
- Preferred name
- 9,12-Dimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,11-tetraen-10-one
- IUPAC
- 9,12-dimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,11-tetraen-10-one
Names & synonyms
NSC11656921271-00-1DTXSID70329336NSC-1165692,10-Dimethyl-1,4-dihydro-1,4-(epiminomethano)naphthalen-9-one
Database identifiers
- CAS
21271-00-1- PubChem CID
- 419604
- DTXSID
DTXSID70329336
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 333
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Compound notes
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