Basic information
- Standard SMILES
Cc1nc2c(=O)c3ccccc3ccc2o1- InChIKey
ROFSXJMCBALNSC-UHFFFAOYSA-N- Molecular formula
- C13H9NO2
- Average molar mass
- 211.22 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-one
- IUPAC
- 5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-one
Names & synonyms
SCHEMBL7509096ROFSXJMCBALNSC-UHFFFAOYSA-N2-Methyl-4H-benzo[5,6]cyclohepta[1,2-d]oxazol-4-one
Database identifiers
- PubChem CID
- 22003576
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 326
Related reactions
2 records
Compound notes
Loading…