Basic information
- CAS
276879-45-9- Standard SMILES
Oc1cnccc1C=NCc1ccccc1- InChIKey
HJMWMSMLPCAIBI-UHFFFAOYSA-N- Molecular formula
- C13H12N2O
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.09496301
Names & identifiers
- Preferred name
- 4-[(Benzylamino)methylidene]pyridin-3(4H)-one
- IUPAC
- 4-(benzyliminomethyl)pyridin-3-ol
Names & synonyms
276879-45-94-[(Benzylamino)methylidene]pyridin-3(4H)-oneDTXSID60780391
Database identifiers
- CAS
276879-45-9- PubChem CID
- 136239686
- DTXSID
DTXSID60780391
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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