Octahydro-3H-4,1,2-benzoxadiazin-3-one
Basic information
- CAS
60110-48-7- Standard SMILES
O=C1NNC2CCCCC2O1- InChIKey
CWAXWNITFMJFSY-UHFFFAOYSA-N- Molecular formula
- C7H12N2O2
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.08987763
Names & identifiers
- Preferred name
- Octahydro-3H-4,1,2-benzoxadiazin-3-one
- IUPAC
- 1,2,4a,5,6,7,8,8a-octahydrobenzo[e][1,3,4]oxadiazin-3-one
Names & synonyms
Octahydro-3H-4,1,2-benzoxadiazin-3-one60110-48-7NSC278461NSC 2784611,2,4a,5,6,7,8,8a-octahydrobenzo[e][1,3,4]oxadiazin-3-oneDTXSID30975535NSC-2784614a,5,6,7,8,8a-Hexahydro-1H-4,1,2-benzoxadiazin-3-ol
Database identifiers
- CAS
60110-48-7- PubChem CID
- 322223
- DTXSID
DTXSID30975535
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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