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(±)-Glutethimide
CAS: 77-21-4 | C13H15NO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
77-21-4
Molecular Formula:
C13H15NO2
Molecular Mass:
217.27 g/mol
Names and Synonyms:
(±)-Glutethimide
2,6-Piperidinedione, 3-ethyl-3-phenyl-
Glutarimide, 2-ethyl-2-phenyl-
3-Ethyl-3-phenyl-2,6-piperidinedione
Doriden
Elrodorm
3-Ethyl-3-phenyl-2,6-diketopiperidine
3-Ethyl-3-phenyl-2,6-dioxopiperidine
α-Ethyl-α-phenylglutarimide
2-Ethyl-2-phenylglutarimide
Glutethimid
Glutethimide
Noxyron
3-Phenyl-3-ethyl-2,6-diketopiperidine
3-Phenyl-3-ethyl-2,6-dioxopiperidine
α-Phenyl-α-ethylglutaric acid imide
2-Phenyl-2-ethylglutaric acid imide
α-Phenyl-α-ethylglutarimide
Sarodormin
Doriden-Sed
Noxiron
Glutetimid
Rigenox
Glimid
3-Ethyl-3-phenylglutarimide
(±)-Glutethimide
(±)-2-Ethyl-2-phenylglutarimide
(±)-3-Ethyl-3-phenyl-2,6-piperidinedione
NSC 95239
Identifiers:
SMILES:
CCC1(c2ccccc2)CCC(O)=NC1=O
InChI:
InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)
Key Properties
Boiling Point
168 °C @ Press: 0.3 Torr
CAS Common Chemistry
Melting Point
84 °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 | 217.27 g/mol | CAS Common Chemistry |
| 217.26799999999992 g/mol | RDKit | |
| 217.11027872 g/mol | RDKit | |
| Boiling Point | 168 °C @ Press: 0.3 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1NC(=O)C(C=2C=CC=CC2)(CC)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=JMBQKKAJIKAWKF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 84 °C | CAS Common Chemistry |
| Name | (±)-Glutethimide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 49.660000000000004 Ų | RDKit |
| LogP | 2.611300000000001 | RDKit |
| Molar Refractivity | 62.71580000000003 | RDKit |
