About 2-(furan-2-yl)-1-azaspiro[5.5]undecan-4-ol
2-(furan-2-yl)-1-azaspiro[5.5]undecan-4-ol (PubChem CID 2997936) has the molecular formula C14H21NO2
and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-azaspiro[5.5]undecan-4-ol.
Molecular Properties
| Compound Name | 2-(furan-2-yl)-1-azaspiro[5.5]undecan-4-ol |
| PubChem CID | 2997936 |
| Molecular Formula | C14H21NO2 |
| Molecular Weight | 235.33 g/mol |
| Exact Mass | 235.16 |
| IUPAC Name | 2-(furan-2-yl)-1-azaspiro[5.5]undecan-4-ol |
| SMILES | OC1CC(c2ccco2)NC2(CCCCC2)C1 |
| InChI | InChI=1S/C14H21NO2/c16-11-9-12(13-5-4-8-17-13)15-14(10-11)6-2-1-3-7-14/h4-5,8,11-12,15-16H,1-3,6-7,9-10H2 |
| InChIKey | AIQYSLMWCIICFG-UHFFFAOYSA-N |
| XLogP | 2.77 |
| TPSA | 45.40 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 235.33 |
| LogP ≤ 5 | 2.77 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-(furan-2-yl)-1-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 2-(furan-2-yl)-1-azaspiro[5.5]undecan-4-ol (CID 2997936) is 2-(furan-2-yl)-1-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 2-(furan-2-yl)-1-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 2-(furan-2-yl)-1-azaspiro[5.5]undecan-4-ol is OC1CC(c2ccco2)NC2(CCCCC2)C1.
What is the InChIKey of 2-(furan-2-yl)-1-azaspiro[5.5]undecan-4-ol?
The InChIKey is AIQYSLMWCIICFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-11-9-12(13-5-4-8-17-13)15-14(10-11)6-2-1-3-7-14/h4-5,8,11-12,15-16H,1-3,6-7,9-10H2.
What are the key properties of 2-(furan-2-yl)-1-azaspiro[5.5]undecan-4-ol?
2-(furan-2-yl)-1-azaspiro[5.5]undecan-4-ol has a molecular weight of 235.33 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 2997936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).