Basic information
- CAS
51069-42-2- Standard SMILES
O=[N+]([O-])C12CCN(CC1)CC2- InChIKey
PIFGZPBLAQZHCC-UHFFFAOYSA-N- Molecular formula
- C7H12N2O2
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.08987763
Names & identifiers
- Preferred name
- 1-Azabicyclo(2.2.2)octane, 4-nitro-
- IUPAC
- 4-nitro-1-azabicyclo[2.2.2]octane
Names & synonyms
4-nitro-1-azabicyclo[2.2.2]octane1-Azabicyclo(2.2.2)octane, 4-nitro-51069-42-21-Azabicyclo[2.2.2]octane,4-nitro-DTXSID70199071
Database identifiers
- CAS
51069-42-2- PubChem CID
- 142811
- DTXSID
DTXSID70199071- Nikkaji
- J1.815.024G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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