Basic information
- Standard SMILES
C=CN1C(=O)C2C=CC1C2- InChIKey
YQBTXIWZXVGVRB-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Names & identifiers
- Preferred name
- 2-Vinyl-2-azabicyclo[2.2.1]hept-5-en-3-one
- IUPAC
- 2-ethenyl-2-azabicyclo[2.2.1]hept-5-en-3-one
Names & synonyms
SCHEMBL5709154YQBTXIWZXVGVRB-UHFFFAOYSA-N2-vinyl-2-azabicyclo[2.2.1]hept-5-en-3-one
Database identifiers
- PubChem CID
- 60007647
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 219
Related reactions
2 records
Compound notes
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