4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl-
Basic information
- CAS
146876-92-8- Standard SMILES
C[N+]1(C)CC2C3C=CC(C3)C2C1- InChIKey
QDAIJGUPJLWODC-UHFFFAOYSA-N- Molecular formula
- C11H18N+
- Average molar mass
- 164.27 g/mol
- Monoisotopic mass
- 164.14392458
Names & identifiers
- Preferred name
- 4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl-
- IUPAC
- 4,4-dimethyl-4-azoniatricyclo[5.2.1.02,6]dec-8-ene
Names & synonyms
4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl-NSC 4000807500-00-7NSC400080R99LU327ZZSCHEMBL123933554,4-Dimethyl-4-azoniatricyclo[5.2.1.02,6]dec-8-ene2,3,3a,4,7,7a-Hexahydro-2,2-dimethyl-4,7-methano-1H-isoindolium146876-92-8
Database identifiers
- CAS
146876-92-8、7500-00-7- PubChem CID
- 436148
- UNII
- R99LU327ZZ
- Nikkaji
- J2.677.771B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 1
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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