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Molecule
Cinnamamide
CAS: 621-79-4 · C9H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 621-79-4
- Molecular Formula
- C9H9NO
- Molecular Mass
- 147.18 g/mol
Identifiers
CAS Registry Number
621-79-4
SMILES
N=C(O)C=Cc1ccccc1
InChI Key
APEJMQOBVMLION-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)
Names and Synonyms
- Cinnamamide Synonym
- 2-Propenamide, 3-phenyl- Synonym
- Cinnamamide Synonym
- 3-Phenyl-2-propenamide Synonym
- 2-Benzylideneacetamide Synonym
- 3-Phenylpropenamide Synonym
- 3-Phenylacrylamide Synonym
- Cinnamic acid amide Synonym
- NSC 32953 Synonym
- AG 835 Synonym
- Coumaramide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.18 g/mol | CAS Common Chemistry |
| 147.177 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C=CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=APEJMQOBVMLION-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 149 °C | CAS Common Chemistry |
| Name | Cinnamamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 2.2350700000000003 | RDKit |
| 2.2351 | RDKit | |
| Molar Refractivity | 45.83150000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 147.068413908 g/mol | RDKit |
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.
External Resources
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MW = 147.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H9NO.
