Basic information
- Standard SMILES
C=CCN1CC2CC(C1)c1cccc(OC)c1C2=O- InChIKey
CWSSOEXQVIDTBB-UHFFFAOYSA-N- Molecular formula
- C16H19NO2
- Average molar mass
- 257.33 g/mol
Names & identifiers
- Preferred name
- 11-Allyl-6-methoxy-11-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
- IUPAC
- 6-methoxy-11-prop-2-enyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
Names & synonyms
SCHEMBL3832881CWSSOEXQVIDTBB-UHFFFAOYSA-N11-Allyl-6-methoxy-11-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
Database identifiers
- PubChem CID
- 59837863
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 368
Related reactions
4 records
Compound notes
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