Basic information
- CAS
70156-95-5- Standard SMILES
O=C(c1ccc2c(c1)OCO2)N1OC2C=CC1CC2- InChIKey
UULBXGPTOFYQML-UHFFFAOYSA-N- Molecular formula
- C14H13NO4
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.0844579
Names & identifiers
- Preferred name
- 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene
- IUPAC
- 1,3-benzodioxol-5-yl(2-oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl)methanone
Names & synonyms
70156-95-5NSC328358NSC 3283583-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo(2.2.2)oct-5-ene1,3-benzodioxol-5-yl(3-oxa-2-azabicyclo[2.2.2]oct-5-en-2-yl)methanoneDTXSID50990402NSC-328358DS-013749(2H-1,3-Benzodioxol-5-yl)(2-oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl)methanone
Database identifiers
- CAS
70156-95-5- PubChem CID
- 433353
- DTXSID
DTXSID50990402
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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