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Molecule
N-Methylsuccinimide
CAS: 1121-07-9 · C5H7NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1121-07-9
- Molecular Formula
- C5H7NO2
- Molecular Mass
- 113.12 g/mol
Identifiers
CAS Registry Number
1121-07-9
SMILES
CN1C(=O)CCC1=O
InChI Key
KYEACNNYFNZCST-UHFFFAOYSA-N
InChI
InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3
Names and Synonyms
- N-Methylsuccinimide Synonym
- 2,5-Pyrrolidinedione, 1-methyl- Synonym
- Succinimide, N-methyl- Synonym
- 1-Methyl-2,5-pyrrolidinedione Synonym
- N-Methylsuccinimide Synonym
- N-Methyl-2,5-pyrrolidinedione Synonym
- NSC 11324 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.12 g/mol | CAS Common Chemistry |
| 113.116 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 |
| 37.15 Ų | chempirical lib | |
| LogP | -0.23480000000000012 | RDKit |
| -0.2348 | RDKit | |
| Molar Refractivity | 27.010999999999992 cm³/mol | RDKit |
| Formal Charge | 0 | RDKit |
| Ring Count | 1 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 113.047678464 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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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 = 113.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H7NO2.
