Basic information
- CAS
820963-98-2- Standard SMILES
CC1(C)OC(=O)c2cccn21- InChIKey
SQOBZZMWNQYYOU-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- 1H,3H-Pyrrolo[1,2-c]oxazol-1-one, 3,3-dimethyl-
- IUPAC
- 3,3-dimethylpyrrolo[1,2-c][1,3]oxazol-1-one
Names & synonyms
820963-98-21H,3H-Pyrrolo[1,2-c]oxazol-1-one, 3,3-dimethyl-3,3-dimethylpyrrolo[1,2-c][1,3]oxazol-1-one3,3-dimethyl-1H,3H-pyrrolo[1,2-c][1,3]oxazol-1-oneDTXSID00459352
Database identifiers
- CAS
820963-98-2- PubChem CID
- 11228895
- DTXSID
DTXSID00459352- Nikkaji
- J2.134.923B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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