<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:43:30 UTC</creation_date>
  <update_date>2026-08-22 18:35:39 UTC</update_date>
  <accession/>
  <common_name>Methacrylamide</common_name>
  <class>SmallMolecule</class>
  <description>Methacrylamide is an organic compound with the formula C4H7NO and an average molecular weight of 85.11 g/mol. Methacrylamide belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds.

The compound has been identified in or released from 38 recorded sources. These include electrical and electronic equipment, such as antennas, amplifiers, coils, auxiliary devices, and conductive bodies characterized by their conductive materials, among 19 others. In the category of household cleaning and consumer products, it is found in soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and tobacco smoke filters. Related to food, food processing and cookware, methacrylamide is associated with food preservation, the preparation of wort, fermentation processes for beer, and the processing of meats. Additionally, it is found in drinking water and water supply, indoor air, and building and construction materials, specifically ceilings and sunshades, awnings or outside screens. Recorded exposure routes for this compound include oral and inhalation. Regarding plastics, methacrylamide has not been detected in polypropylene.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2-methylprop-2-enamide</synonym>
    <synonym>2-Propenamide, 2-methyl-</synonym>
  </synonyms>
  <chemical_formula>C4H7NO</chemical_formula>
  <average_molecular_weight>85.106</average_molecular_weight>
  <monisotopic_moleculate_weight>85.052763849</monisotopic_moleculate_weight>
  <iupac_name>2-methylprop-2-enamide</iupac_name>
  <traditional_iupac>methacrylamide</traditional_iupac>
  <cas_registry_number>79-39-0</cas_registry_number>
  <smiles>CC(=C)C(N)=O</smiles>
  <inchi>InChI=1S/C4H7NO/c1-3(2)4(5)6/h1H2,2H3,(H2,5,6)</inchi>
  <inchikey>FQPSGWSUVKBHSU-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Carboxylic acids and derivatives</class>
    <sub_class>Carboxylic acid derivatives</sub_class>
    <direct_parent>Primary carboxylic acid amides</direct_parent>
    <alternate_parents>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organonitrogen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Primary carboxylic acid amide</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>acrylamides</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>0.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.43</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.29</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.68e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>16.77</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-0.077</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2-methylprop-2-enamide</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>85.106</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>85.052763849</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(=C)C(N)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H7NO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C4H7NO/c1-3(2)4(5)6/h1H2,2H3,(H2,5,6)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>FQPSGWSUVKBHSU-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>43.09</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>23.47</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>8.78</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <use_source/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>6595</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>6346</chemspider_id>
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</compound>
