About 11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane
11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 112570802) has the molecular formula C14H25NO
and a molecular weight of 223.36 g/mol. Its IUPAC name is 11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane.
Molecular Properties
| Compound Name | 11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane |
| PubChem CID | 112570802 |
| Molecular Formula | C14H25NO |
| Molecular Weight | 223.36 g/mol |
| Exact Mass | 223.19 |
| IUPAC Name | 11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane |
| SMILES | C1CCC(C2CNCCC23CCOCC3)C1 |
| InChI | InChI=1S/C14H25NO/c1-2-4-12(3-1)13-11-15-8-5-14(13)6-9-16-10-7-14/h12-13,15H,1-11H2 |
| InChIKey | RFYYJNLNIMDLNQ-UHFFFAOYSA-N |
| XLogP | 2.58 |
| TPSA | 21.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 223.36 |
| LogP ≤ 5 | 2.58 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane (CID 112570802) is 11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane is C1CCC(C2CNCCC23CCOCC3)C1.
What is the InChIKey of 11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is RFYYJNLNIMDLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-4-12(3-1)13-11-15-8-5-14(13)6-9-16-10-7-14/h12-13,15H,1-11H2.
What are the key properties of 11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane?
11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 223.36 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 112570802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).