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Molecule
(±)-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
Identifiers
CAS Registry Number
77-21-4
SMILES
CCC1(c2ccccc2)CCC(O)=NC1=O
InChI Key
JMBQKKAJIKAWKF-UHFFFAOYSA-N
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)
Names and Synonyms
- (±)-Glutethimide Synonym
- 2,6-Piperidinedione, 3-ethyl-3-phenyl- Synonym
- Glutarimide, 2-ethyl-2-phenyl- Synonym
- 3-Ethyl-3-phenyl-2,6-piperidinedione Synonym
- Doriden Synonym
- Elrodorm Synonym
- 3-Ethyl-3-phenyl-2,6-diketopiperidine Synonym
- 3-Ethyl-3-phenyl-2,6-dioxopiperidine Synonym
- α-Ethyl-α-phenylglutarimide Synonym
- 2-Ethyl-2-phenylglutarimide Synonym
- Glutethimid Synonym
- Glutethimide Synonym
- Noxyron Synonym
- 3-Phenyl-3-ethyl-2,6-diketopiperidine Synonym
- 3-Phenyl-3-ethyl-2,6-dioxopiperidine Synonym
- α-Phenyl-α-ethylglutaric acid imide Synonym
- 2-Phenyl-2-ethylglutaric acid imide Synonym
- α-Phenyl-α-ethylglutarimide Synonym
- Sarodormin Synonym
- Doriden-Sed Synonym
- Noxiron Synonym
- Glutetimid Synonym
- Rigenox Synonym
- Glimid Synonym
- 3-Ethyl-3-phenylglutarimide Synonym
- (±)-Glutethimide Synonym
- (±)-2-Ethyl-2-phenylglutarimide Synonym
- (±)-3-Ethyl-3-phenyl-2,6-piperidinedione Synonym
- NSC 95239 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 217.27 g/mol | CAS Common Chemistry |
| 217.26799999999992 g/mol | RDKit | |
| 217.268 g/mol | RDKit | |
| 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 |
| 49.66 Ų | RDKit | |
| LogP | 2.611300000000001 | RDKit |
| 2.6113 | RDKit | |
| Molar Refractivity | 62.71580000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3846 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 217.11027872 g/mol | RDKit |
| Boiling Point | 168 °C @ 0.3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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.
External Resources
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MW = 217.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H15NO2.
