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Molecule
N-Methyl-N-Vinylacetamide
CAS: 3195-78-6 · C5H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3195-78-6
- Molecular Formula
- C5H9NO
- Molecular Mass
- 99.13 g/mol
Identifiers
CAS Registry Number
3195-78-6
SMILES
C=CN(C)C(C)=O
InChI Key
PNLUGRYDUHRLOF-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO/c1-4-6(3)5(2)7/h4H,1H2,2-3H3
Names and Synonyms
- N-Methyl-N-Vinylacetamide Common Name
- Acetamide, N-ethenyl-N-methyl- Synonym
- Acetamide, N-methyl-N-vinyl- Synonym
- N-Ethenyl-N-methylacetamide Synonym
- N-Methyl-N-vinylacetamide Synonym
- N-Vinyl-N-methylacetamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 99.13 g/mol | CAS Common Chemistry |
| 99.13299999999998 g/mol | RDKit | |
| 99.133 g/mol | RDKit | |
| Canonical SMILES | O=C(N(C=C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO/c1-4-6(3)5(2)7/h4H,1H2,2-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PNLUGRYDUHRLOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methyl-N-vinylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 0.6082000000000001 | RDKit |
| 0.6082 | RDKit | |
| Molar Refractivity | 28.640999999999988 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 99.068413908 g/mol | RDKit |
| Boiling Point | 64-66 °C @ 17 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
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MW = 99.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H9NO.
