3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylamide (CHEM060080)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 02:04:15 UTC | ||||||||
| Update Date | 2026-04-03 02:04:15 UTC | ||||||||
| Accession Number | CHEM060080 | ||||||||
| Identification | |||||||||
| Common Name | 3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylamide | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylamide belongs to the cinnamic acid amides, a subclass of cinnamic acids and derivatives within the organic compounds. It is classified under the superclass of phenylpropanoids and polyketides. This compound has the chemical formula C11H8N2O3. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C11H8N2O3 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 216.053 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (Z)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C11H8N2O3/c12-5-8(11(13)14)3-7-1-2-9-10(4-7)16-6-15-9/h1-4H,6H2,(H2,13,14)/b8-3- | ||||||||
| InChI Key | CBMXFPHUADQWJW-BAQGIRSFSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Phenylpropanoids and polyketides | ||||||||
| Class | Cinnamic acids and derivatives | ||||||||
| Sub Class | Cinnamic acid amides | ||||||||
| Direct Parent | Cinnamic acid amides | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 19166639 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
