Basic information
- CAS
158014-83-6- Standard SMILES
Cc1ccc(C=CC(=O)c2ccccn2)cc1- InChIKey
QAXZVTXDKRUVTD-UHFFFAOYSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3-(4-methylphenyl)-1-(2-pyridinyl)-, (2E)-
- IUPAC
- 3-(4-methylphenyl)-1-pyridin-2-ylprop-2-en-1-one
Names & synonyms
158014-83-62-Propen-1-one, 3-(4-methylphenyl)-1-(2-pyridinyl)-, (2E)-SCHEMBL9231011DTXSID503466873-(4-methylphenyl)-1-(pyridin-2-yl)prop-2-en-1-one
Database identifiers
- CAS
158014-83-6- PubChem CID
- 613995
- DTXSID
DTXSID50346687
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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