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Molecule
3-Azaspiro[5.5]Undecane-2,4-Dione
CAS: 1130-32-1 · C10H15NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1130-32-1
- Molecular Formula
- C10H15NO2
- Molecular Mass
- 181.24 g/mol
Identifiers
CAS Registry Number
1130-32-1
SMILES
O=C1CC2(CCCCC2)CC(O)=N1
InChI Key
FNIPRNMPSXNBDI-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO2/c12-8-6-10(7-9(13)11-8)4-2-1-3-5-10/h1-7H2,(H,11,12,13)
Names and Synonyms
- 3-Azaspiro[5.5]Undecane-2,4-Dione Systematic Name
- 3-Azaspiro[5.5]undecane-2,4-dione Synonym
- 1,1-Cyclohexanediacetimide Synonym
- NSC 400093 Synonym
- 2,4-Dioxo-3-azaspiro[5.5]undecane Synonym
- 3,3-Cyclopentane glutarimide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 181.24 g/mol | CAS Common Chemistry |
| 181.235 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=O)CC2(C1)CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO2/c12-8-6-10(7-9(13)11-8)4-2-1-3-5-10/h1-7H2,(H,11,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=FNIPRNMPSXNBDI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168 °C | CAS Common Chemistry |
| Name | 3-Azaspiro[5.5]undecane-2,4-dione | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 2.2138 | RDKit |
| 2.12 | chempirical lib | |
| Molar Refractivity | 49.82280000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 181.11027872 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
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MW = 181.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15NO2.
