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Glutarimide
CAS: 1121-89-7 | C5H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1121-89-7
Molecular Formula:
C5H7NO2
Molecular Mass:
113.12 g/mol
Names and Synonyms:
Glutarimide
2,6-Piperidinedione
Glutarimide
NSC 168666
NSC 58190
Identifiers:
SMILES:
O=C1CCCC(O)=N1
InChI:
InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)
Key Properties
Melting Point
152-153 °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 | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glutarimide | CAS Common Chemistry |
| Canonical SMILES | O=C1NC(=O)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=KNCYXPMJDCCGSJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 152-153 °C | CAS Common Chemistry |
| Name | Glutarimide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.66 Ų | RDKit |
| LogP | 0.6534 | RDKit |
| Molar Refractivity | 28.92179999999999 | RDKit |
