Basic information
- CAS
50719-82-9- Standard SMILES
CC/C=C/C1=C2CC(C)CN=C2CC1.Cl- InChIKey
OOZIYFNNFDJCBA-FXRZFVDSSA-N- Molecular formula
- C13H20ClN
- Average molar mass
- 225.76 g/mol
- Monoisotopic mass
- 225.1284273
Names & identifiers
- Preferred name
- 2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
- IUPAC
- 5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine;hydrochloride
Names & synonyms
2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-50719-82-9RefChem:1065207Pyrindicin hydrochloridePyrindicine hydrochloride5-(trans-1'-Butenyl)-3-methyl-3,4,6,7-tetrahydro-2H-1-pyrindine hydrochloride
Database identifiers
- CAS
50719-82-9- PubChem CID
- 6445872
Properties
Computed structural properties
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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