Basic information
- Standard SMILES
C(=C1CCCCCN1)c1ccncc1- InChIKey
TWOUSUNWJBZYNG-UHFFFAOYSA-N- Molecular formula
- C12H16N2
- Average molar mass
- 188.27 g/mol
Names & identifiers
- Preferred name
- 2-(4-Picolinylidene)1,3,4,5,6,7-hexahydroazepine
- IUPAC
- 2-(pyridin-4-ylmethylidene)azepane
Names & synonyms
SCHEMBL11266130TWOUSUNWJBZYNG-UHFFFAOYSA-N2-(4-picolinylidene)1,3,4,5,6,7-hexahydroazepine
Database identifiers
- PubChem CID
- 70549655
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 192
Related reactions
1 records
Compound notes
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