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4,4-Dimethyl-2,6-Piperidinedione
CAS: 1123-40-6 | C7H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1123-40-6
Molecular Formula:
C7H11NO2
Molecular Weight:
141.17 g/mol
Names and Synonyms:
4,4-Dimethyl-2,6-Piperidinedione
2,6-Piperidinedione, 4,4-dimethyl-
Glutarimide, 3,3-dimethyl-
4,4-Dimethyl-2,6-piperidinedione
β,β-Dimethylglutarimide
4,4-Dimethylglutarimide
3,3-Dimethylglutarimide
NSC 58194
NSC 99206
Identifiers:
SMILES:
CC1(C)CC(=O)N=C(O)C1
InChI:
InChI=1S/C7H11NO2/c1-7(2)3-5(9)8-6(10)4-7/h3-4H2,1-2H3,(H,8,9,10)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 141.17 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 141.078978592 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 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 | 1.2895 | RDKit |
| molecular_mass | 141.17 g/mol | Legacy Database |
| cas-canonical-smile | O=C1NC(=O)CC(C)(C)C1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H11NO2/c1-7(2)3-5(9)8-6(10)4-7/h3-4H2,1-2H3,(H,8,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=YUJCWMGBRDBPDL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 145-146 °C None | Legacy Database |
| cas-name | 4,4-Dimethyl-2,6-piperidinedione None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.0858 | RDKit |
