Basic information
- Standard SMILES
CC(C)(C)c1ccc2c(c1)OCCNC2=O- InChIKey
SONJCQQJICZDNJ-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
Names & identifiers
- Preferred name
- 8-tert-Butyl-3,4-dihydro-2H-benzo[f][1,4]oxazepin-5-one
- IUPAC
- 8-tert-butyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
Names & synonyms
8-tert-Butyl-3,4-dihydro-2H-benzo[f][1,4]oxazepin-5-oneSCHEMBL701202SONJCQQJICZDNJ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 59548545
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Related reactions
4 records
Compound notes
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