3-Ethynylquinuclidine
Basic information
- CAS
91239-94-0- Standard SMILES
C#CC1CN2CCC1CC2- InChIKey
RNLYMASFMIASNE-UHFFFAOYSA-N- Molecular formula
- C9H13N
- Average molar mass
- 135.21 g/mol
Names & identifiers
- Preferred name
- 3-Ethynylquinuclidine
- IUPAC
- 3-ethynyl-1-azabicyclo[2.2.2]octane
- English name
- 1-Azabicyclo[2.2.2]octane, 3-ethynyl- (9CI)
- Molecular formula
- C9H13N
- Molecular weight
- 135.20622
Names & synonyms
3-ethynylquinuclidineSCHEMBL504910791239-94-0DB-2791931-AZABICYCLO[2.2.2]OCTANE, 3-ETHYNYL-1-Azabicyclo[2.2.2]octane, 3-ethynyl- (9CI)
Database identifiers
- CAS
91239-94-0
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 168
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Compound notes
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