3-Benzyl-1-oxo-1lambda~5~-pyrazine
Basic information
- CAS
90210-59-6- Standard SMILES
[O-][n+]1ccnc(Cc2ccccc2)c1- InChIKey
RIMRXYSQKRJKAH-UHFFFAOYSA-N- Molecular formula
- C11H10N2O
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.07931295
Names & identifiers
- Preferred name
- 3-Benzyl-1-oxo-1lambda~5~-pyrazine
- IUPAC
- 3-benzyl-1-oxidopyrazin-1-ium
Names & synonyms
3-Benzyl-1-oxo-1lambda~5~-pyrazine90210-59-6DTXSID00521543
Database identifiers
- CAS
90210-59-6- PubChem CID
- 13143751
- DTXSID
DTXSID00521543
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 38.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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