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Molecule
N-(2-Methoxyphenyl)Maleimide
CAS: 17392-68-6 · C11H9NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17392-68-6
- Molecular Formula
- C11H9NO3
- Molecular Mass
- 203.20 g/mol
Identifiers
CAS Registry Number
17392-68-6
SMILES
COc1ccccc1N1C(=O)C=CC1=O
InChI Key
LJDGDRYFCIHDPX-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO3/c1-15-9-5-3-2-4-8(9)12-10(13)6-7-11(12)14/h2-7H,1H3
Names and Synonyms
- N-(2-Methoxyphenyl)Maleimide Synonym
- 1H-Pyrrole-2,5-dione, 1-(2-methoxyphenyl)- Synonym
- Maleimide, N-(o-methoxyphenyl)- Synonym
- 1-(2-Methoxyphenyl)-1H-pyrrole-2,5-dione Synonym
- N-o-Methoxyphenylmaleimide Synonym
- N-o-Anisylmaleimide Synonym
- N-(2-Methoxyphenyl)maleimide Synonym
- NSC 144974 Synonym
- 1-(2-Methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione Synonym
- 1-(2-Methoxyphenyl)pyrrole-2,5-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.20 g/mol | CAS Common Chemistry |
| 203.19699999999997 g/mol | RDKit | |
| 203.197 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1C=2C=CC=CC2OC | CAS Common Chemistry |
| InChI | InChI=1S/C11H9NO3/c1-15-9-5-3-2-4-8(9)12-10(13)6-7-11(12)14/h2-7H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LJDGDRYFCIHDPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 119-120 °C | CAS Common Chemistry |
| Name | N-(2-Methoxyphenyl)maleimide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.61 Ų | RDKit |
| 46.38 Ų | chempirical lib | |
| LogP | 1.1245999999999998 | RDKit |
| 1.1246 | RDKit | |
| Molar Refractivity | 54.62700000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0909 | RDKit |
| 0.09 | chempirical lib | |
| Exact Mass | 203.058243148 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 203.20 g/mol. Edit any field — others recompute live.
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