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N-Methylsuccinimide
CAS: 1121-07-9 | C5H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1121-07-9
Molecular Formula:
C5H7NO2
Molecular Mass:
113.12 g/mol
Names and Synonyms:
N-Methylsuccinimide
2,5-Pyrrolidinedione, 1-methyl-
Succinimide, N-methyl-
1-Methyl-2,5-pyrrolidinedione
N-Methylsuccinimide
N-Methyl-2,5-pyrrolidinedione
NSC 11324
Identifiers:
SMILES:
CN1C(=O)CCC1=O
InChI:
InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3
Key Properties
Boiling Point
234 °C
CAS Common Chemistry
Melting Point
71 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.12 g/mol | CAS Common Chemistry |
| 113.116 g/mol | RDKit | |
| 113.047678464 g/mol | RDKit | |
| Boiling Point | 234 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1N(C(=O)CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KYEACNNYFNZCST-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 71 °C | CAS Common Chemistry |
| Name | N-Methylsuccinimide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| LogP | -0.23480000000000012 | RDKit |
| Molar Refractivity | 27.010999999999992 | RDKit |
