Basic information
- Standard SMILES
COc1ccc(N2CCC=CC2=O)cc1- InChIKey
CLTXMUHPFVNDFE-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 1-(4-methoxyphenyl)-5,6-dihydropyridin-2(1H)-one
- IUPAC
- 1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one
Names & synonyms
SCHEMBL1360514CLTXMUHPFVNDFE-UHFFFAOYSA-N1-(4-methoxyphenyl)-5,6-dihydropyridin-2(1H)-one
Database identifiers
- PubChem CID
- 67005013
- Nikkaji
- J3.135.346G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
4 records
Compound notes
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