2H-1,3,5-Ethanylylidenecyclopenta(b)pyrrolium, hexahydro-1-methyl-
Basic information
- CAS
7497-31-6- Standard SMILES
C[N+]12CC3C4CC(C3C1)C2C4- InChIKey
WBAFRQZFBIGEKR-UHFFFAOYSA-N- Molecular formula
- C10H16N+
- Average molar mass
- 150.24 g/mol
- Monoisotopic mass
- 150.12827452
Names & identifiers
- Preferred name
- 2H-1,3,5-Ethanylylidenecyclopenta(b)pyrrolium, hexahydro-1-methyl-
- IUPAC
- 1-methyl-1-azoniatetracyclo[5.2.1.02,6.04,8]decane
Names & synonyms
NSC 4050847497-31-62H-1,3,5-Ethanylylidenecyclopenta(b)pyrrolium, hexahydro-1-methyl-NSC4050842H-1,3,5-Ethanylylidenecyclopenta[b]pyrrolium, hexahydro-1-methyl-
Database identifiers
- CAS
7497-31-6- PubChem CID
- 436879
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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