Basic information
- Standard SMILES
C=CCN1C(=O)C(N)COc2ccccc21- InChIKey
DXQKAVOEPZBPTL-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- IUPAC
- 3-amino-5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one
Database identifiers
- PubChem CID
- 76626777
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Related reactions
2 records
Compound notes
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