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Molecule
4,4-Dimethyl-2,6-Piperidinedione
CAS: 1123-40-6 · C7H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1123-40-6
- Molecular Formula
- C7H11NO2
- Molecular Mass
- 141.17 g/mol
Identifiers
CAS Registry Number
1123-40-6
SMILES
CC1(C)CC(=O)N=C(O)C1
InChI Key
YUJCWMGBRDBPDL-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO2/c1-7(2)3-5(9)8-6(10)4-7/h3-4H2,1-2H3,(H,8,9,10)
Names and Synonyms
- 4,4-Dimethyl-2,6-Piperidinedione Synonym
- 2,6-Piperidinedione, 4,4-dimethyl- Synonym
- Glutarimide, 3,3-dimethyl- Synonym
- 4,4-Dimethyl-2,6-piperidinedione Synonym
- β,β-Dimethylglutarimide Synonym
- 4,4-Dimethylglutarimide Synonym
- 3,3-Dimethylglutarimide Synonym
- NSC 58194 Synonym
- NSC 99206 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Melting Point | 145-146 °C | CAS Common Chemistry |
| Name | 4,4-Dimethyl-2,6-piperidinedione | CAS Common Chemistry |
| Molecular Mass | 141.17 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C1NC(=O)CC(C)(C)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H11NO2/c1-7(2)3-5(9)8-6(10)4-7/h3-4H2,1-2H3,(H,8,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=YUJCWMGBRDBPDL-UHFFFAOYSA-N | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 1.2895 | RDKit |
| 1.19 | chempirical lib | |
| Molar Refractivity | 38.0858 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 141.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 141.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H11NO2.
