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Molecule
N-Cyclohexylmaleimide
CAS: 1631-25-0 · C10H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1631-25-0
- Molecular Formula
- C10H13NO2
- Molecular Mass
- 179.22 g/mol
Identifiers
CAS Registry Number
1631-25-0
SMILES
O=C1C=CC(=O)N1C1CCCCC1
InChI Key
BQTPKSBXMONSJI-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2
Names and Synonyms
- N-Cyclohexylmaleimide Common Name
- 1H-Pyrrole-2,5-dione, 1-cyclohexyl- Synonym
- Maleimide, N-cyclohexyl- Synonym
- 1-Cyclohexyl-1H-pyrrole-2,5-dione Synonym
- N-Cyclohexylmaleimide Synonym
- Imilex C Synonym
- NSC 524431 Synonym
- CHMI-FS Synonym
- Cyclohexyl maleimide Synonym
- 1-Cyclohexylpyrrole-2,5-dione Synonym
- 1-Cyclohexyl-2,5-dihydro-1H-pyrrole-2,5-dione Synonym
- N-Cyclohexyl maleic imide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 179.22 g/mol | CAS Common Chemistry |
| 179.21899999999997 g/mol | RDKit | |
| 179.219 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1C2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BQTPKSBXMONSJI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83-85 °C | CAS Common Chemistry |
| Name | N-Cyclohexylmaleimide | 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 | 0 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| 37.15 Ų | chempirical lib | |
| LogP | 1.2440999999999998 | RDKit |
| 1.2441 | RDKit | |
| Molar Refractivity | 47.86600000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 179.094628656 g/mol | RDKit |
| Boiling Point | 132 °C @ 17 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 |
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200 ppm
180
160
140
120
100
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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 = 179.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H13NO2.
