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Molecule
Trans-Cinnamamide
CAS: 22031-64-7 · C9H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22031-64-7
- Molecular Formula
- C9H9NO
- Molecular Mass
- 147.18 g/mol
Identifiers
CAS Registry Number
22031-64-7
SMILES
N=C(O)/C=C/c1ccccc1
InChI Key
APEJMQOBVMLION-VOTSOKGWSA-N
InChI
InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+
Names and Synonyms
- Trans-Cinnamamide Common Name
- 2-Propenamide, 3-phenyl-, (2E)- Synonym
- Cinnamamide, (E)- Synonym
- 2-Propenamide, 3-phenyl-, (E)- Synonym
- (2E)-3-Phenyl-2-propenamide Synonym
- trans-Cinnamamide Synonym
- trans-Cinnamic acid amide Synonym
- trans-Cinnamoylamine Synonym
- trans-β-(Aminocarbonyl)styrene Synonym
- U 2422 Synonym
- (E)-Cinnamamide Synonym
- trans-3-Phenyl-2-propenamide Synonym
- (E)-3-Phenyl-2-propenamide Synonym
- (E)-Cinnamamide 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)/b7-6+ | CAS Common Chemistry |
| InChI Key | InChIKey=APEJMQOBVMLION-VOTSOKGWSA-N | CAS Common Chemistry |
| Melting Point | 148 °C | CAS Common Chemistry |
| Name | trans-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
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 147.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H9NO.
