Back to Search
Molecule
3-Amino-2,6-Piperidinedione
CAS: 2353-44-8 · C5H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2353-44-8
- Molecular Formula
- C5H8N2O2
- Molecular Mass
- 128.13 g/mol
Identifiers
CAS Registry Number
2353-44-8
SMILES
NC1CCC(O)=NC1=O
InChI Key
NPWMTBZSRRLQNJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2O2/c6-3-1-2-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9)
Names and Synonyms
- 3-Amino-2,6-Piperidinedione Systematic Name
- 2,6-Piperidinedione, 3-amino- Synonym
- Glutarimide, 2-amino- Synonym
- 3-Amino-2,6-piperidinedione Synonym
- Glutamimide Synonym
- 3-Amino-2,6-dioxopiperidine Synonym
- α-Aminoglutarimide Synonym
- 3-Aminopiperidine-2,6-dione Synonym
- 3-Aminoglutarimide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.13 g/mol | CAS Common Chemistry |
| 128.131 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=O)C(N)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H8N2O2/c6-3-1-2-4(8)7-5(3)9/h3H,1-2,6H2,(H,7,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=NPWMTBZSRRLQNJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 142-143 °C | CAS Common Chemistry |
| Name | 3-Amino-2,6-piperidinedione | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 75.68 Ų | RDKit |
| LogP | -0.40940000000000004 | RDKit |
| -0.4094 | RDKit | |
| Molar Refractivity | 32.2802 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 128.058577496 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
Convert
Quick conversion
MW = 128.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H8N2O2.
