4-Allyloxy-10-oxa-4-aza-tricyclo(5.2.1.0(2,6))dec-8-ene-3,5-dione
Basic information
- CAS
42831-35-6- Standard SMILES
C=CCON1C(=O)C2C3C=CC(O3)C2C1=O- InChIKey
ABLBQJIQVCPNKL-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- 4-Allyloxy-10-oxa-4-aza-tricyclo(5.2.1.0(2,6))dec-8-ene-3,5-dione
- IUPAC
- 2-prop-2-enoxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Names & synonyms
TimTec1_005063Oprea1_261353HMS1548G03AKOS024284897ST0798974-ALLYLOXY-10-OXA-4-AZA-TRICYCLO(5.2.1.0(2,6))DEC-8-ENE-3,5-DIONE4-prop-2-enyloxy-10-oxa-4-azatricyclo[5.2.1.0<2,6>]dec-8-ene-3,5-dione
Database identifiers
- CAS
42831-35-6- PubChem CID
- 3955896
- EC Number
- 104-823-7
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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