ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate
Basic information
- CAS
52196-98-2- Standard SMILES
CCOC(=O)N1CCc2[nH]oc(=O)c2CC1- InChIKey
XICYZCLNNSVLKJ-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.09535693
Names & identifiers
- Preferred name
- ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate
- IUPAC
- ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate
Names & synonyms
52196-98-2NSC303567ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylateDTXSID80316439NSC-303567DS-009068Ethyl 3-oxo-1,3,4,5,7,8-hexahydro-6H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate6H-ISOXAZOLO[3,4-D]AZEPINE-6-CARBOXYLICACID, 1,3,4,5,7,8-HEXAHYDRO-3-OXO-, ETHYL ESTER
Database identifiers
- CAS
52196-98-2- PubChem CID
- 327640
- DTXSID
DTXSID80316439
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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