Basic information
- CAS
92331-75-4- Standard SMILES
CCOC(=O)C(=CN1CCCCCC1)C(=O)OCC- InChIKey
OMXFFXWHYKQGTI-UHFFFAOYSA-N- Molecular formula
- C14H23NO4
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.16270821
Names & identifiers
- Preferred name
- Diethyl(azepan-1-ylmethylidene)propanedioate
- IUPAC
- diethyl 2-(azepan-1-ylmethylidene)propanedioate
Names & synonyms
92331-75-4Diethyl 2-(azepan-1-ylmethylene)malonate1,3-diethyl 2-[(azepan-1-yl)methylidene]propanedioatediethyl(azepan-1-ylmethylidene)propanedioateNSC162402DTXSID20303828NSC-162402Diethyl [(azepan-1-yl)methylidene]propanedioate
Database identifiers
- CAS
92331-75-4- PubChem CID
- 294334
- DTXSID
DTXSID20303828
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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