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Molecule
N-(Methoxymethyl)-2-Methyl-2-Propenamide
CAS: 3644-12-0 · C6H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3644-12-0
- Molecular Formula
- C6H11NO2
- Molecular Mass
- 129.16 g/mol
Identifiers
CAS Registry Number
3644-12-0
SMILES
C=C(C)C(O)=NCOC
InChI Key
YOZHLACIXDCHPV-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO2/c1-5(2)6(8)7-4-9-3/h1,4H2,2-3H3,(H,7,8)
Names and Synonyms
- N-(Methoxymethyl)-2-Methyl-2-Propenamide Common Name
- 2-Propenamide, N-(methoxymethyl)-2-methyl- Synonym
- Acrylamide, N-(methoxymethyl)-2-methyl- Synonym
- N-(Methoxymethyl)-2-methyl-2-propenamide Synonym
- N-Methylolmethacrylamide methyl ether Synonym
- Methoxymethylmethacrylamide Synonym
- N-(Methoxymethyl)methacrylamide Synonym
- N-Methoxymethylmethacrylamide Synonym
- N-Methoxymethymethacrylamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.16 g/mol | CAS Common Chemistry |
| 129.15899999999996 g/mol | RDKit | |
| 129.159 g/mol | RDKit | |
| Canonical SMILES | O=C(NCOC)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO2/c1-5(2)6(8)7-4-9-3/h1,4H2,2-3H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=YOZHLACIXDCHPV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(Methoxymethyl)-2-methyl-2-propenamide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.82000000000001 Ų | RDKit |
| 41.82 Ų | RDKit | |
| LogP | 1.1229 | RDKit |
| Molar Refractivity | 36.753800000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 129.078978592 g/mol | RDKit |
| Boiling Point | 86 °C @ 0.8 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 129.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H11NO2.
