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Molecule
Bemegride
CAS: 64-65-3 · C8H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 64-65-3
- Molecular Formula
- C8H13NO2
- Molecular Mass
- 155.20 g/mol
Identifiers
CAS Registry Number
64-65-3
SMILES
CCC1(C)CC(=O)N=C(O)C1
InChI Key
ORRZGUBHBVWWOP-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO2/c1-3-8(2)4-6(10)9-7(11)5-8/h3-5H2,1-2H3,(H,9,10,11)
Names and Synonyms
- Bemegride Common Name
- 2,6-Piperidinedione, 4-ethyl-4-methyl- Synonym
- Glutarimide, 3-ethyl-3-methyl- Synonym
- 4-Ethyl-4-methyl-2,6-piperidinedione Synonym
- NP 13 Synonym
- Ahypnon Synonym
- Bemegrid Synonym
- Bemegride Synonym
- 2,6-Dioxo-4-methyl-4-ethylpiperidine Synonym
- 4-Ethyl-4-methyl-2,6-dioxopiperidine Synonym
- β-Ethyl-β-methylglutarimide Synonym
- 3-Ethyl-3-methylglutarimide Synonym
- Eukraton Synonym
- Malysol Synonym
- Megimide Synonym
- Methetharimide Synonym
- 4-Methyl-4-ethyl-2,6-dioxopiperidine Synonym
- β-Methyl-β-ethylglutarimide Synonym
- 3-Methyl-3-ethylglutarimide Synonym
- Mikedimide Synonym
- Megimid Synonym
- Agipnon Synonym
- Etimid Synonym
- Megibal Synonym
- Antibarbi Synonym
- Zentraleptin Synonym
- NSC 168667 Synonym
- NSC 58187 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 155.20 g/mol | CAS Common Chemistry |
| 155.19699999999997 g/mol | RDKit | |
| 155.197 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=O)CC(C)(C1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H13NO2/c1-3-8(2)4-6(10)9-7(11)5-8/h3-5H2,1-2H3,(H,9,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=ORRZGUBHBVWWOP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126.5 °C | CAS Common Chemistry |
| Name | Bemegride | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.66 Ų | RDKit |
| LogP | 1.6796 | RDKit |
| 1.58 | chempirical lib | |
| Molar Refractivity | 42.70280000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 155.094628656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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20
0 ppm
| 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 = 155.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H13NO2.
