Basic information
- CAS
65115-46-0- Standard SMILES
[O-][N+]1=NC2C=CC=CC1CC2- InChIKey
RKSAANGJESARRY-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931295
Names & identifiers
- Preferred name
- 7,8-Diazabicyclo[4.2.2]deca-2,4,7-triene, 7-oxide
- IUPAC
- 7-oxido-8-aza-7-azoniabicyclo[4.2.2]deca-2,4,7-triene
Names & synonyms
65115-46-07,8-Diazabicyclo[4.2.2]deca-2,4,7-triene, 7-oxideDTXSID103419767-Oxo-7lambda~5~,8-diazabicyclo[4.2.2]deca-2,4,7-triene
Database identifiers
- CAS
65115-46-0- PubChem CID
- 577496
- DTXSID
DTXSID10341976
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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