Basic information
- CAS
77931-65-8- Standard SMILES
Cc1noc2c1NC(=O)OC(C)(C)C2- InChIKey
SSZRWCKRZZYAAF-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.08479225
Names & identifiers
- Preferred name
- 3,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-one
- IUPAC
- 3,7,7-trimethyl-4,8-dihydro-[1,2]oxazolo[4,5-d][1,3]oxazepin-5-one
- English name
- Isoxazolo[4,5-d][1,3]oxazepin-5(4H)-one, 7,8-dihydro-3,7,7-trimethyl- (9CI)
- Molecular formula
- C9H12N2O3
- Molecular weight
- 196.20318
Names & synonyms
77931-65-8VU10V8LPX03,7,7-Trimethyl-7,8-dihydroisoxazolo(4,5-d)(1,3)oxazepin-5(4H)-oneNSC353675UNII-VU10V8LPX0NSC 353675NSC-3536753,7,7-Trimethyl-7,8-dihydroisoxazolo[4,5-d][1,3]oxazepin-5(4H)-oneDTXSID802285833,7,7-trimethyl-4,8-dihydroisoxazolo[4,5-d][1,3]oxazepin-5-one3,7,7-Trimethyl-7,8-dihydro[1,2]oxazolo[4,5-d][1,3]oxazepin-5(4H)-one7,8-DIHYDRO-3,7,7-TRIMETHYLISOXAZOLO(4,5-D)(1,3)OXAZEPIN-5(4H)-ONE
Show more names
Isoxazolo[4,5-d][1,3]oxazepin-5(4H)-one, 7,8-dihydro-3,7,7-trimethyl- (9CI)
ISOXAZOLO(4,5-D)(1,3)OXAZEPIN-5(4H)-ONE, 7,8-DIHYDRO-3,7,7-TRIMETHYL-
Database identifiers
- CAS
77931-65-8- PubChem CID
- 337055
- DTXSID
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- FDA UNII
- 10 V8LPX0 · VU10V8LPX0
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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