Basic information
- Standard SMILES
COC(=O)CCCC#CCN1C(=O)CCCC1C=O- InChIKey
JYUJUCPGMXDOKG-UHFFFAOYSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
Names & identifiers
- Preferred name
- 7-(2-Formyl-6-oxo-piperidin-1-yl)-hept-5-ynoic acid methyl ester
- IUPAC
- methyl 7-(2-formyl-6-oxopiperidin-1-yl)hept-5-ynoate
Names & synonyms
SCHEMBL4375079JYUJUCPGMXDOKG-UHFFFAOYSA-N7-(2-formyl-6-oxo-piperidin-1-yl)-hept-5-ynoic acid methyl ester
Database identifiers
- PubChem CID
- 86012500
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 404
Related reactions
13 records
Compound notes
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