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Molecule
N-Hydroxymaleimide
CAS: 4814-74-8 · C4H3NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4814-74-8
- Molecular Formula
- C4H3NO3
- Molecular Mass
- 113.07 g/mol
Identifiers
CAS Registry Number
4814-74-8
SMILES
O=C1C=CC(=O)N1O
InChI Key
BUXKULRFRATXSI-UHFFFAOYSA-N
InChI
InChI=1S/C4H3NO3/c6-3-1-2-4(7)5(3)8/h1-2,8H
Names and Synonyms
- N-Hydroxymaleimide Synonym
- 1H-Pyrrole-2,5-dione, 1-hydroxy- Synonym
- Maleimide, N-hydroxy- Synonym
- 1-Hydroxy-1H-pyrrole-2,5-dione Synonym
- N-Hydroxymaleimide Synonym
- 1-Hydroxy-2,5-dihydro-1H-pyrrole-2,5-dione Synonym
- 1-Hydroxypyrrole-2,5-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.07 g/mol | CAS Common Chemistry |
| 113.072 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1O | CAS Common Chemistry |
| InChI | InChI=1S/C4H3NO3/c6-3-1-2-4(7)5(3)8/h1-2,8H | CAS Common Chemistry |
| InChI Key | InChIKey=BUXKULRFRATXSI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 148-150 °C (decomp) | CAS Common Chemistry |
| Name | N-Hydroxymaleimide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.61 Ų | RDKit |
| 57.38 Ų | chempirical lib | |
| LogP | -0.6994000000000002 | RDKit |
| -0.6994 | RDKit | |
| -0.63 | chempirical lib | |
| Molar Refractivity | 22.779499999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 113.011292956 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| 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 = 113.07 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H3NO3.
