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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 Weight:
113.116 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)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 113.116 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 113.047678464 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 49.66 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.6534 | RDKit |
| molecular_mass | 113.12 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Glutarimide None | Legacy Database |
| cas-canonical-smile | O=C1NC(=O)CCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8) None | Legacy Database |
| cas-inchi-key | InChIKey=KNCYXPMJDCCGSJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 152-153 °C None | Legacy Database |
| cas-name | Glutarimide None | Legacy Database |
| wikipedia-name | Glutarimide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.92179999999999 | RDKit |
