6,6-Dimethyl-3-phenyl-5,6-dihydro-4H-1,2,5-oxadiazine
Basic information
- CAS
116199-72-5- Standard SMILES
CC1(C)NCC(c2ccccc2)=NO1- InChIKey
AJJLXJYGLUBLRO-UHFFFAOYSA-N- Molecular formula
- C11H14N2O
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.11061307
Names & identifiers
- Preferred name
- 6,6-Dimethyl-3-phenyl-5,6-dihydro-4H-1,2,5-oxadiazine
- IUPAC
- 6,6-dimethyl-3-phenyl-4,5-dihydro-1,2,5-oxadiazine
Names & synonyms
116199-72-5SCHEMBL98331186,6-Dimethyl-3-phenyl-5,6-dihydro-4H-1,2,5-oxadiazineDTXSID90600659
Database identifiers
- CAS
116199-72-5- PubChem CID
- 19857589
- DTXSID
DTXSID90600659
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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