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Molecule
Ethyl (2E)-3-(Dimethylamino)-2-Propenoate
CAS: 1117-37-9 · C7H13NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1117-37-9
- Molecular Formula
- C7H13NO2
- Molecular Mass
- 143.19 g/mol
Identifiers
CAS Registry Number
1117-37-9
SMILES
CCOC(=O)/C=C/N(C)C
InChI Key
MVUMJYQUKKUOHO-AATRIKPKSA-N
InChI
InChI=1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3/b6-5+
Names and Synonyms
- Ethyl (2E)-3-(Dimethylamino)-2-Propenoate Common Name
- 2-Propenoic acid, 3-(dimethylamino)-, ethyl ester, (2E)- Synonym
- Acrylic acid, 3-(dimethylamino)-, ethyl ester, (E)- Synonym
- 2-Propenoic acid, 3-(dimethylamino)-, ethyl ester, (E)- Synonym
- Ethyl (2E)-3-(dimethylamino)-2-propenoate Synonym
- Ethyl (E)-3-(dimethylamino)prop-2-enoate Synonym
- Ethyl (2E)-3-(dimethylamino)acrylate Synonym
- Ethyl (2E)-3-(dimethylamino)prop-2-enoate Synonym
- (E)-Ethyl 3-(dimethylamino)acrylate Synonym
- Ethyl (E)-3-(dimethylamino)prop-2-enoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.19 g/mol | CAS Common Chemistry |
| 143.18599999999998 g/mol | RDKit | |
| 143.186 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC)C=CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3/b6-5+ | CAS Common Chemistry |
| InChI Key | InChIKey=MVUMJYQUKKUOHO-AATRIKPKSA-N | CAS Common Chemistry |
| Name | Ethyl (2E)-3-(dimethylamino)-2-propenoate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| 29.31 Ų | chempirical lib | |
| LogP | 0.6248 | RDKit |
| Molar Refractivity | 39.46000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 143.094628656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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 = 143.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H13NO2.
