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Molecule
N-(4-Aminophenyl)Maleimide
CAS: 29753-26-2 · C10H8N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 29753-26-2
- Molecular Formula
- C10H8N2O2
- Molecular Mass
- 188.19 g/mol
Identifiers
CAS Registry Number
29753-26-2
SMILES
Nc1ccc(N2C(=O)C=CC2=O)cc1
InChI Key
XOPCHXSYQHXLHJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,11H2
Names and Synonyms
- N-(4-Aminophenyl)Maleimide Synonym
- 1H-Pyrrole-2,5-dione, 1-(4-aminophenyl)- Synonym
- 1-(4-Aminophenyl)-1H-pyrrole-2,5-dione Synonym
- N-(4-Aminophenyl)maleimide Synonym
- N-(p-Aminophenyl)maleimide Synonym
- (p-Aminophenyl)maleimide Synonym
- 1-(4-Aminophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione Synonym
- 1-(4-Aminophenyl)pyrrole-2,5-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.19 g/mol | CAS Common Chemistry |
| 188.186 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H8N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XOPCHXSYQHXLHJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(4-Aminophenyl)maleimide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 63.4 Ų | RDKit |
| 63.17 Ų | chempirical lib | |
| LogP | 0.6982 | RDKit |
| Molar Refractivity | 52.48740000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 188.058577496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 188.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H8N2O2.
