(5S)-5,6-Dihydro-6,6-dimethyl-5-phenyl-2H-1,4-oxazin-2-one
Completing data — refresh the page later to see the latest
Basic information
- CAS
723262-95-1- Standard SMILES
CC1(C)OC(=O)C=N[C@H]1c1ccccc1- InChIKey
AISCPSRYGCFAQP-NSHDSACASA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- (5S)-5,6-Dihydro-6,6-dimethyl-5-phenyl-2H-1,4-oxazin-2-one
- IUPAC
- (3S)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one
- English name
- (5S)-5,6-DIHYDRO-6,6-DIMETHYL-5-PHENYL-2H-1,4-OXAZIN-2-ONE
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
723262-95-1(5S)-5,6-Dihydro-6,6-dimethyl-5-phenyl-2H-1,4-oxazin-2-oneDTXSID90463701RefChem:209630DTXCID80414520(3S)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one(S)-6,6-Dimethyl-5-phenyl-5,6-dihydro-2H-1,4-oxazin-2-oneMFCD08276355(5S)-6,6-dimethyl-5-phenyl-5,6-dihydro-2H-1,4-oxazin-2-oneAKOS015842151CS-03574962H-1,4-Oxazin-2-one, 5,6-dihydro-6,6-dimethyl-5-phenyl-, (5S)-
Database identifiers
- CAS
723262-95-1- PubChem CID
- 11367698
- DTXSID
DTXSID90463701- Nikkaji
- J1.504.304K
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 86 °C · 86 °C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…