(1S,4R)-2-benzyl-2-azabicyclo[2.2.1]hept-5-ene
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Basic information
- Standard SMILES
C1=C[C@@H]2C[C@H]1CN2Cc1ccccc1- InChIKey
LXICLGVNNWLLTE-QWHCGFSZSA-N- Molecular formula
- C13H15N
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.12044948
Names & identifiers
- Preferred name
- (1S,4R)-2-benzyl-2-azabicyclo[2.2.1]hept-5-ene
- IUPAC
- (1S,4R)-2-benzyl-2-azabicyclo[2.2.1]hept-5-ene
Names & synonyms
SCHEMBL16045090LXICLGVNNWLLTE-QWHCGFSZSA-N(1S,4R)-2-benzyl-2-azabicyclo[2.2.1]hept-5-ene
Database identifiers
- PubChem CID
- 11298367
- Nikkaji
- J1.992.065H、J2.091.475K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Related reactions
2 records
Compound notes
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