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Azaspirodecanedione
CAS: 1075-89-4 | C9H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1075-89-4
Molecular Formula:
C9H13NO2
Molecular Mass:
167.21 g/mol
Names and Synonyms:
Azaspirodecanedione
8-Azaspiro[4.5]decane-7,9-dione
1,1-Cyclopentanediacetimide
β-Spirocyclopentaneglutarimide
3,3-Tetramethyleneglutarimide
3-Spirocyclopentaneglutarimide
4,4-Tetramethyleneglutarimide
NSC 400092
Identifiers:
SMILES:
O=C1CC2(CCCC2)CC(O)=N1
InChI:
InChI=1S/C9H13NO2/c11-7-5-9(3-1-2-4-9)6-8(12)10-7/h1-6H2,(H,10,11,12)
Key Properties
Melting Point
153 °C @ Solvent: Water
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 | 167.21 g/mol | CAS Common Chemistry |
| 167.20800000000003 g/mol | RDKit | |
| 167.094628656 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Azaspirodecanedione | CAS Common Chemistry |
| Canonical SMILES | O=C1NC(=O)CC2(C1)CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO2/c11-7-5-9(3-1-2-4-9)6-8(12)10-7/h1-6H2,(H,10,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=YRTHJMQKDCXPAY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 153 °C @ Solvent: Water | CAS Common Chemistry |
| Name | 8-Azaspiro[4.5]decane-7,9-dione | CAS Common Chemistry |
| Azaspirodecanedione | CAS Common Chemistry | |
| Heavy Atom Count | 12 | 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 | 1.8237 | RDKit |
| Molar Refractivity | 45.20580000000002 | RDKit |
