(1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-8-one
Basic information
- Standard SMILES
O=C1[C@@H]2C[C@@H](CN3CCCC[C@H]23)C2=CCCCN12- InChIKey
UAAWNTMXVSONPU-OUCADQQQSA-N- Molecular formula
- C15H22N2O
- Average molar mass
- 246.35 g/mol
- Monoisotopic mass
- 246.17321332
Overview
(1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-8-one has been reported in Castilleja sulphurea, Lupinus latifolius, and other organisms with data available.
Names & identifiers
- Preferred name
- (1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-8-one
- IUPAC
- (1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-8-one
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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