Ethyl 2-oxooctahydro-1H-quinolizine-3-carboxylate
Basic information
- CAS
1258431-03-6- Standard SMILES
CCOC(=O)C1CN2CCCCC2CC1=O- InChIKey
VYRNHOMTMFKYMC-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.13649347
Names & identifiers
- Preferred name
- Ethyl 2-oxooctahydro-1H-quinolizine-3-carboxylate
- IUPAC
- ethyl 2-oxo-1,3,4,6,7,8,9,9a-octahydroquinolizine-3-carboxylate
- English name
- 2H-Quinolizine-3-carboxylic acid, octahydro-2-oxo-, ethyl ester
- Molecular formula
- C12H19NO3
- Molecular weight
- 225.28
Names & synonyms
Ethyl 2-oxooctahydro-1H-quinolizine-3-carboxylate1258431-03-6ethyl 2-oxo-1,3,4,6,7,8,9,9a-octahydroquinolizine-3-carboxylateEthyl2-oxooctahydro-1H-quinolizine-3-carboxylateEthyl 2-oxooctahydro-2H-quinolizine-3-carboxylateSCHEMBL864567DTXSID507358302H-Quinolizine-3-carboxylic acid, octahydro-2-oxo-, ethyl esterDB-319570
Database identifiers
- CAS
1258431-03-6- PubChem CID
- 66822367
- DTXSID
DTXSID50735830
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 338.5 · 338.5±37.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 11.3 · 11.30±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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