Basic information
- Standard SMILES
C#C[C@@]1(OC(C)=O)CN2CCC1CC2- InChIKey
ITZVOIDWSIZQDH-LLVKDONJSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
Names & identifiers
- Preferred name
- (3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl acetate
- IUPAC
- [(3R)-3-ethynyl-1-azabicyclo[2.2.2]octan-3-yl] acetate
Names & synonyms
SCHEMBL5049465ITZVOIDWSIZQDH-LLVKDONJSA-N(3R)-3-ethynyl-1-azabicyclo[2.2.2]oct-3-yl acetate
Database identifiers
- PubChem CID
- 9834196
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 296
Related reactions
1 records
Compound notes
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