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Molecule
N-(2-Methylphenyl)Maleimide
CAS: 4067-01-0 · C11H9NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4067-01-0
- Molecular Formula
- C11H9NO2
- Molecular Mass
- 187.20 g/mol
Identifiers
CAS Registry Number
4067-01-0
SMILES
Cc1ccccc1N1C(=O)C=CC1=O
InChI Key
QYOJZFBQEAZNEW-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h2-7H,1H3
Names and Synonyms
- N-(2-Methylphenyl)Maleimide Common Name
- 1H-Pyrrole-2,5-dione, 1-(2-methylphenyl)- Synonym
- Maleimide, N-o-tolyl- Synonym
- 1-(2-Methylphenyl)-1H-pyrrole-2,5-dione Synonym
- N-o-Tolylmaleimide Synonym
- N-(o-Methylphenyl)maleimide Synonym
- N-(2-Methylphenyl)maleimide Synonym
- N-2-Tolylmaleimide Synonym
- NSC 39640 Synonym
- NSC 52611 Synonym
- NSC 56115 Synonym
- 1-(2-Methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.20 g/mol | CAS Common Chemistry |
| 187.198 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1C=2C=CC=CC2C | CAS Common Chemistry |
| InChI | InChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h2-7H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QYOJZFBQEAZNEW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70-71 °C | CAS Common Chemistry |
| Name | N-(2-Methylphenyl)maleimide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| 37.15 Ų | chempirical lib | |
| LogP | 1.42442 | RDKit |
| 1.4244 | RDKit | |
| Molar Refractivity | 52.81200000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0909 | RDKit |
| 0.09 | chempirical lib | |
| Exact Mass | 187.063328528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
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 = 187.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H9NO2.
