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Molecule
1,4-Dioxa-8-Azaspiro[4.5]Decane
CAS: 177-11-7 · C7H13NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 177-11-7
- Molecular Formula
- C7H13NO2
- Molecular Mass
- 143.19 g/mol
Identifiers
CAS Registry Number
177-11-7
SMILES
C1CC2(CCN1)OCCO2
InChI Key
KPKNTUUIEVXMOH-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2
Names and Synonyms
- 1,4-Dioxa-8-Azaspiro[4.5]Decane Synonym
- 1,4-Dioxa-8-azaspiro[4.5]decane Synonym
- 4-Piperidinone, cyclic 1,2-ethanediyl acetal Synonym
- 4-Piperidone ethylene acetal Synonym
- 4,4-(Ethylenedioxy)piperidine Synonym
- 4-Piperidone ethylene ketal Synonym
- Piperidin-4-one ethylene ketal Synonym
- 8-Aza-1,4-dioxaspiro[4.5]decane Synonym
- 4-Piperidinone ethylene acetal Synonym
- Piperidin-4-one monoethylene ketal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.19 g/mol | CAS Common Chemistry |
| 143.186 g/mol | RDKit | |
| Canonical SMILES | O1CCOC12CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KPKNTUUIEVXMOH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,4-Dioxa-8-azaspiro[4.5]decane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 30.49 Ų | RDKit |
| LogP | 0.11289999999999983 | RDKit |
| 0.1129 | RDKit | |
| Molar Refractivity | 36.7387 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 143.094628656 g/mol | RDKit |
| Boiling Point | 108-110 °C @ 26 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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 = 143.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H13NO2.
