9a-Hydroxy-3-oxo-2-(propan-2-yl)octahydro[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide
Basic information
- CAS
60807-05-8- Standard SMILES
CC(C)C1(C(=O)NN)OC2(O)CCCCCN2C1=O- InChIKey
YJGHXJLBRUTSEV-UHFFFAOYSA-N- Molecular formula
- C12H21N3O4
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.15320616
Names & identifiers
- Preferred name
- 9a-Hydroxy-3-oxo-2-(propan-2-yl)octahydro[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide
- IUPAC
- 9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide
Names & synonyms
60807-05-8NSC166566DTXSID80304634NSC-1665669a-hydroxy-3-oxo-2-(propan-2-yl)octahydro[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide
Database identifiers
- CAS
60807-05-8- PubChem CID
- 296419
- DTXSID
DTXSID80304634
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 400
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…