Basic information
- CAS
5171-05-1- Standard SMILES
O=C(C=Cc1ccncc1)c1cccc2ccccc12- InChIKey
TZQUHARHJFOXSL-UHFFFAOYSA-N- Molecular formula
- C18H13NO
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.09971404
Names & identifiers
- Preferred name
- 1-(Naphthalen-1-yl)-3-(pyridin-4-yl)prop-2-en-1-one
- IUPAC
- 1-naphthalen-1-yl-3-pyridin-4-ylprop-2-en-1-one
Names & synonyms
5171-05-1SCHEMBL69369031-(Naphthalen-1-yl)-3-(pyridin-4-yl)prop-2-en-1-oneDTXSID20329846
Database identifiers
- CAS
5171-05-1- PubChem CID
- 424401
- DTXSID
DTXSID20329846
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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