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Molecule
Glutarimide
CAS: 1121-89-7 · C5H7NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1121-89-7
- Molecular Formula
- C5H7NO2
- Molecular Mass
- 113.12 g/mol
Identifiers
CAS Registry Number
1121-89-7
SMILES
O=C1CCCC(O)=N1
InChI Key
KNCYXPMJDCCGSJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)
Names and Synonyms
- Glutarimide Synonym
- 2,6-Piperidinedione Synonym
- Glutarimide Synonym
- NSC 168666 Synonym
- NSC 58190 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.12 g/mol | CAS Common Chemistry |
| 113.116 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glutarimide | CAS Common Chemistry |
| Canonical SMILES | O=C1NC(=O)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=KNCYXPMJDCCGSJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 152-153 °C | CAS Common Chemistry |
| Name | Glutarimide | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 0.6534 | RDKit |
| Molar Refractivity | 28.92179999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 113.047678464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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40
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 = 113.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H7NO2.
