Basic information
- CAS
870966-58-8- Standard SMILES
N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3)c2ccccc12- InChIKey
DXKRGIVIPCTTJE-STQMWFEESA-N- Molecular formula
- C16H15N3
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.12659749
Names & identifiers
- Preferred name
- 1-Naphthalenecarbonitrile, 4-(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl-
- IUPAC
- 4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]naphthalene-1-carbonitrile
Names & synonyms
1-Naphthalenecarbonitrile, 4-(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl-870966-58-8DTXSID904698494-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]naphthalene-1-carbonitrile
Database identifiers
- CAS
870966-58-8- PubChem CID
- 11637792
- DTXSID
DTXSID90469849
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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