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N-Methylmaleimide
CAS: 930-88-1 | C5H5NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
930-88-1
Molecular Formula:
C5H5NO2
Molecular Mass:
111.10 g/mol
Names and Synonyms:
N-Methylmaleimide
1H-Pyrrole-2,5-dione, 1-methyl-
Maleimide, N-methyl-
1-Methyl-1H-pyrrole-2,5-dione
N-Methylmaleimide
N-Methylmaleinimide
N-Methylmaleimide
NSC 57594
N-Methylpyrrole-2,5-dione
1-Methylpyrrole-2,5-dione
1-Methyl-2,5-dihydro-1H-pyrrole-2,5-dione
N-Methyl maleic imide
Identifiers:
SMILES:
CN1C(=O)C=CC1=O
InChI:
InChI=1S/C5H5NO2/c1-6-4(7)2-3-5(6)8/h2-3H,1H3
Key Properties
Boiling Point
128 °C @ Press: 35 Torr
CAS Common Chemistry
Melting Point
67 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 111.10 g/mol | CAS Common Chemistry |
| 111.09999999999998 g/mol | RDKit | |
| 111.0320284 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Methylmaleimide | CAS Common Chemistry |
| Boiling Point | 128 °C @ Press: 35 Torr | 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 |
| LogP | -0.4588000000000001 | RDKit |
| Molar Refractivity | 26.91699999999999 | RDKit |
