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2-Vinyl-4,4-Dimethylazlactone
CAS: 29513-26-6 | C7H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
29513-26-6
Molecular Formula:
C7H9NO2
Molecular Weight:
139.15399999999997 g/mol
Names and Synonyms:
2-Vinyl-4,4-Dimethylazlactone
5(4H)-Oxazolone, 2-ethenyl-4,4-dimethyl-
2-Oxazolin-5-one, 4,4-dimethyl-2-vinyl-
2-Ethenyl-4,4-dimethyl-5(4H)-oxazolone
2-Vinyl-4,4-dimethyl-5-oxazolone
2-Ethenyl-4,4-dimethyl-1,3-oxazolin-5-one
4,4-Dimethyl-2-vinyl-2-oxazolin-5-one
2-Vinyl-4,4-dimethylazlactone
2-Vinyl-4,4-dimethyl-2-oxazolin-5-one
4,4-Dimethyl-2-vinyl-5(4H)-oxazolone
4,4-Dimethyl-2-vinylazlactone
Vinyldimethylazlactone
4,4-Dimethyl-2-vinyl-1,3-oxazolin-5-one
4,4-Dimethyl-2-vinyl-1,3-oxazol-5(4H)-one
VAL
4,4-Dimethyl-2-vinyl-4H-oxazol-5-one
2-Ethenyl-4,4-dimethyl-1,3-oxazol-5-one
Identifiers:
SMILES:
C=CC1=NC(C)(C)C(=O)O1
InChI:
InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 139.15399999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 139.063328528 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.66 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.9062999999999999 | RDKit |
| molecular_mass | 139.15 g/mol | Legacy Database |
| cas-canonical-smile | O=C1OC(=NC1(C)C)C=C None | Legacy Database |
| cas-inchi | InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=QKPKBBFSFQAMIY-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-Vinyl-4,4-dimethylazlactone None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.803000000000004 | RDKit |
