Phenylmethyl 3,4-dihydro-2-(4-hydroxybutyl)-4-oxo-1(2H)-pyridinecarboxylate
Basic information
- CAS
107971-44-8- Standard SMILES
O=C1C=CN(C(=O)OCc2ccccc2)C(CCCCO)C1- InChIKey
IIWVVNQRJHCJQB-UHFFFAOYSA-N- Molecular formula
- C17H21NO4
- Average molar mass
- 303.35 g/mol
- Monoisotopic mass
- 303.14705815
Names & identifiers
- Preferred name
- Phenylmethyl 3,4-dihydro-2-(4-hydroxybutyl)-4-oxo-1(2H)-pyridinecarboxylate
- IUPAC
- benzyl 2-(4-hydroxybutyl)-4-oxo-2,3-dihydropyridine-1-carboxylate
Names & synonyms
DTXSID401143887Phenylmethyl 3,4-dihydro-2-(4-hydroxybutyl)-4-oxo-1(2H)-pyridinecarboxylate107971-44-8Benzyl 2-(4-hydroxybutyl)-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
Database identifiers
- CAS
107971-44-8- PubChem CID
- 13680911
- DTXSID
DTXSID401143887
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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