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Molecule
N-Phenylmaleimide
CAS: 941-69-5 · C10H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 941-69-5
- Molecular Formula
- C10H7NO2
- Molecular Mass
- 173.17 g/mol
Identifiers
CAS Registry Number
941-69-5
SMILES
O=C1C=CC(=O)N1c1ccccc1
InChI Key
HIDBROSJWZYGSZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H
Names and Synonyms
- N-Phenylmaleimide Common Name
- 1H-Pyrrole-2,5-dione, 1-phenyl- Synonym
- Maleimide, N-phenyl- Synonym
- 1-Phenyl-1H-pyrrole-2,5-dione Synonym
- Maleanil Synonym
- N-Phenylmaleimide Synonym
- Phenylmaleimide Synonym
- Maleimidobenzene Synonym
- N-Phenylmaleic acid imide Synonym
- N-Phenylmaleic imide Synonym
- N-Phenylmaleinimide Synonym
- Imilex P Synonym
- NSC 8183 Synonym
- 1-Phenyl-pyrrole-2,5-dione Synonym
- N-Phenylpyrrole-2,5-dione Synonym
- 1-Phenyl-2,5-dihydro-1H-pyrrole-2,5-dione Synonym
- 1-[4-(Acetoxy)phenyl]maleimide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.17 g/mol | CAS Common Chemistry |
| 173.17100000000002 g/mol | RDKit | |
| 173.171 g/mol | RDKit | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.405 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C1C=CC(=O)N1C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H | CAS Common Chemistry |
| InChI Key | InChIKey=HIDBROSJWZYGSZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90.5 °C | CAS Common Chemistry |
| Name | N-Phenylmaleimide | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 1.1159999999999999 | RDKit |
| 1.116 | RDKit | |
| Molar Refractivity | 48.07500000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 173.047678464 g/mol | RDKit |
| Boiling Point | 181 °C @ 27 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
80
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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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Quick conversion
MW = 173.17 g/mol; density = 1.410 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H7NO2.
