Basic information
- CAS
74957-49-6- Standard SMILES
CN(C)C(=O)C=Cc1ccc2c(c1)OCO2- InChIKey
CEUCWGNOCLVFRN-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- 3-(1,3-benzodioxol-5-yl)-N,N-dimethylprop-2-enamide
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-N,N-dimethylprop-2-enamide
Names & synonyms
SCHEMBL28418448SCHEMBL31547842DTXSID601032723AKOS0172625953-(2H-1,3-benzodioxol-5-yl)-N,N-dimethylprop-2-enamide
Database identifiers
- CAS
74957-49-6- PubChem CID
- 53152
- DTXSID
DTXSID601032723
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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