Basic information
- CAS
68281-25-4- Standard SMILES
C=CCNC(=O)C1COc2ccccc2O1- InChIKey
PNMWAHCSBXANLU-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
- IUPAC
- N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Names & synonyms
MLS000738126N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamiden-(prop-2-en-1-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamideNSC36582SCHEMBL4651767CHEMBL1898840HMS2756G09NSC-36582AKOS000609952AKOS017081196SMR000393889ST063381
Show more names
F6541-3131N-allyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide2H,3H-benzo[e]1,4-dioxin-2-yl-N-prop-2-enylcarboxamide
Database identifiers
- CAS
68281-25-4- PubChem CID
- 235333
- ChEMBL
CHEMBL1898840
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Related reactions
1 records
Compound notes
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