((2R,4S,5S)-5-Ethynylquinuclidin-2-yl)methanol
Basic information
- CAS
219794-74-8- Standard SMILES
C#C[C@H]1CN2CC[C@H]1C[C@@H]2CO- InChIKey
BAROCKUOBIXNNQ-LPEHRKFASA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- ((2R,4S,5S)-5-Ethynylquinuclidin-2-yl)methanol
- IUPAC
- [(2R,4S,5S)-5-ethynyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
Names & synonyms
219794-74-8((2R,4S,5S)-5-Ethynylquinuclidin-2-yl)methanol10,11-didehydro-quincoridineDTXSID101183799(1S,2R,4S,5S)-5-Ethynyl-1-azabicyclo[2.2.2]octane-2-methanol[(1S,2R,4S,5S)-5-Ethynyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
Database identifiers
- CAS
219794-74-8- PubChem CID
- 11943512
- DTXSID
DTXSID101183799- EC Number
- 606-878-7
- Nikkaji
- J1.023.458A、J1.841.647F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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