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Molecule
N-Methylmaleimide
CAS: 930-88-1 · C5H5NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 930-88-1
- Molecular Formula
- C5H5NO2
- Molecular Mass
- 111.10 g/mol
Identifiers
CAS Registry Number
930-88-1
SMILES
CN1C(=O)C=CC1=O
InChI Key
SEEYREPSKCQBBF-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO2/c1-6-4(7)2-3-5(6)8/h2-3H,1H3
Names and Synonyms
- N-Methylmaleimide Synonym
- 1H-Pyrrole-2,5-dione, 1-methyl- Synonym
- Maleimide, N-methyl- Synonym
- 1-Methyl-1H-pyrrole-2,5-dione Synonym
- N-Methylmaleimide Synonym
- N-Methylmaleinimide Synonym
- N-Methylmaleimide Synonym
- NSC 57594 Synonym
- N-Methylpyrrole-2,5-dione Synonym
- 1-Methylpyrrole-2,5-dione Synonym
- 1-Methyl-2,5-dihydro-1H-pyrrole-2,5-dione Synonym
- N-Methyl maleic imide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 111.10 g/mol | CAS Common Chemistry |
| 111.09999999999998 g/mol | RDKit | |
| 111.1 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Methylmaleimide | CAS Common Chemistry |
| Canonical SMILES | O=C1C=CC(=O)N1C | CAS Common Chemistry |
| InChI | InChI=1S/C5H5NO2/c1-6-4(7)2-3-5(6)8/h2-3H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SEEYREPSKCQBBF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 67 °C | CAS Common Chemistry |
| Name | N-Methylmaleimide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| 37.15 Ų | chempirical lib | |
| LogP | -0.4588000000000001 | RDKit |
| -0.4588 | RDKit | |
| Molar Refractivity | 26.91699999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 111.0320284 g/mol | RDKit |
| Boiling Point | 128 °C @ 35 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 111.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H5NO2.
