dimethyl 1-formyl-3,4-dihydro-2H-azocine-6,7-dicarboxylate
Basic information
- CAS
62563-02-4- Standard SMILES
COC(=O)C1=CCCCN(C=O)C=C1C(=O)OC- InChIKey
LSHMUOKPCJNMTG-UHFFFAOYSA-N- Molecular formula
- C12H15NO5
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.09502258
Names & identifiers
- Preferred name
- dimethyl 1-formyl-3,4-dihydro-2H-azocine-6,7-dicarboxylate
- IUPAC
- dimethyl 1-formyl-3,4-dihydro-2H-azocine-6,7-dicarboxylate
Names & synonyms
62563-02-4dimethyl 1-formyl-3,4-dihydro-2H-azocine-6,7-dicarboxylateDTXSID00313703Dimethyl 1-formyl-1,6,7,8-tetrahydroazocine-3,4-dicarboxylate
Database identifiers
- CAS
62563-02-4- PubChem CID
- 321767
- DTXSID
DTXSID00313703
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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