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Molecule
Methacrylamide
CAS: 79-39-0 · C4H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 79-39-0
- Molecular Formula
- C4H7NO
- Molecular Mass
- 85.11 g/mol
Identifiers
CAS Registry Number
79-39-0
SMILES
C=C(C)C(=N)O
InChI Key
FQPSGWSUVKBHSU-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO/c1-3(2)4(5)6/h1H2,2H3,(H2,5,6)
Names and Synonyms
- Methacrylamide Common Name
- 2-Propenamide, 2-methyl- Synonym
- Methacrylamide Synonym
- 2-Methyl-2-propenamide Synonym
- Methacrylic acid amide Synonym
- Methacrylic amide Synonym
- 2-Methylpropenamide Synonym
- 2-Methylacrylamide Synonym
- NSC 23772 Synonym
- NSC 24147 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 85.11 g/mol | CAS Common Chemistry |
| 85.10599999999998 g/mol | RDKit | |
| 85.106 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methacrylamide | CAS Common Chemistry |
| Canonical SMILES | O=C(N)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H7NO/c1-3(2)4(5)6/h1H2,2H3,(H2,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=FQPSGWSUVKBHSU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 105 °C | CAS Common Chemistry |
| Name | Methacrylamide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 1.09777 | RDKit |
| 1.0978 | RDKit | |
| Molar Refractivity | 25.169499999999992 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 85.052763844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 85.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H7NO.
