3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide
Basic information
- CAS
40951-05-1- Standard SMILES
CCN(CC)C(=O)C=Cc1ccc2c(c1)OCO2- InChIKey
DEQSVZNNNQWMJW-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide
Names & synonyms
3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamideSCHEMBL28408661DTXSID601226627AKOS017262531
Database identifiers
- CAS
40951-05-1- PubChem CID
- 97767
- DTXSID
DTXSID601226627
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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