Basic information
- CAS
111896-94-7- Standard SMILES
O=C1C(=Cc2ccc3c(c2)OCO3)N2CCC1CC2- InChIKey
NGNUATHUAAONSD-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.10519334
Names & identifiers
- Preferred name
- 2-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-one
- IUPAC
- 2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
Names & synonyms
111896-94-7DTXSID609205982-[(2H-1,3-Benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one2-((2H-1,3-Benzodioxol-5-yl)methylidene)-1-azabicyclo(2.2.2)octan-3-oneRefChem:1060491DTXCID801349504BRN 57544312-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one2-(3,4-Methylenedioxyphenylmethylene)-3-oxoquinuclidine2-Benzo[1,3]dioxol-5-ylmethylene-1-aza-bicyclo[2.2.2]octan-3-one2-(1,3-benzodioxol-5-ylmethylene)quinuclidin-3-oneMaybridge1_003469
Show more names
2-(1,3-Benzodioxol-5-ylmethylene)-1-azabicyclo(2.2.2)octan-3-one1-AZABICYCLO(2.2.2)OCTAN-3-ONE, 2-(1,3-BENZODIOXOL-5-YLMETHYLENE)-AKOS030245147
Database identifiers
- CAS
111896-94-7- PubChem CID
- 60520
- DTXSID
DTXSID60920598
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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