1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 3-oxo-, ethyl ester, hydrochloride (1:1)
Basic information
- CAS
52763-22-1- Standard SMILES
CCOC(=O)C1C(=O)C2CCN1CC2.Cl- InChIKey
OEEFUPHRORUMAR-UHFFFAOYSA-N- Molecular formula
- C10H16ClNO3
- Average molar mass
- 233.69 g/mol
- Monoisotopic mass
- 233.0818711
Names & identifiers
- Preferred name
- 1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 3-oxo-, ethyl ester, hydrochloride (1:1)
- IUPAC
- ethyl 3-oxo-1-azabicyclo[2.2.2]octane-2-carboxylate;hydrochloride
Names & synonyms
52763-22-11-Azabicyclo(2.2.2)octane-2-carboxylic acid, 3-oxo-, ethyl ester, hydrochloride (1:1)1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 3-oxo-, ethyl ester, hydrochloride (1:1)RefChem:2276211-Azabicyclo[2.2.2]octane-2-carboxylic acid, 3-oxo-, ethyl ester, hydrochlorideNSC 93935ethyl 3-oxo-1-azabicyclo[2.2.2]octane-2-carboxylate;hydrochlorideEthyl 3-quinuclidinone-2-carboxylate hydrochlorideSCHEMBL11676787DTXSID40385308NSC93935NSC-93935
Show more names
1-Azabicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester, hydrochlorideEthyl 3-oxo-1-azabicyclo[2.2.2]octane-2-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
52763-22-1- PubChem CID
- 2831735
- DTXSID
DTXSID40385308
Properties
Computed structural properties
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
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Compound notes
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