Back to Search
Molecule
N-(4-Acetylphenyl)Maleimide
CAS: 1082-85-5 · C12H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1082-85-5
- Molecular Formula
- C12H9NO3
- Molecular Mass
- 215.21 g/mol
Identifiers
CAS Registry Number
1082-85-5
SMILES
CC(=O)c1ccc(N2C(=O)C=CC2=O)cc1
InChI Key
ISGBKWSEHGAUNF-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO3/c1-8(14)9-2-4-10(5-3-9)13-11(15)6-7-12(13)16/h2-7H,1H3
Names and Synonyms
- N-(4-Acetylphenyl)Maleimide Synonym
- 1H-Pyrrole-2,5-dione, 1-(4-acetylphenyl)- Synonym
- Maleimide, N-(p-acetylphenyl)- Synonym
- 1-(4-Acetylphenyl)-1H-pyrrole-2,5-dione Synonym
- N-(4-Acetylphenyl)maleimide Synonym
- N-(p-Acetylphenyl)maleimide Synonym
- NSC 209075 Synonym
- 1-(4-Acetylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione Synonym
- 1-(4-Acetylphenyl)pyrrole-2,5-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.21 g/mol | CAS Common Chemistry |
| 215.208 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1C2=CC=C(C=C2)C(=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H9NO3/c1-8(14)9-2-4-10(5-3-9)13-11(15)6-7-12(13)16/h2-7H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ISGBKWSEHGAUNF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 157.5-160 °C | CAS Common Chemistry |
| Name | N-(4-Acetylphenyl)maleimide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 54.45 Ų | RDKit |
| 54.22 Ų | chempirical lib | |
| LogP | 1.3186 | RDKit |
| Molar Refractivity | 58.07950000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0833 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 215.058243148 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 215.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H9NO3.
