About 3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol
3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol (PubChem CID 130949185) has the molecular formula C12H21NO
and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol.
Molecular Properties
| Compound Name | 3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol |
| PubChem CID | 130949185 |
| Molecular Formula | C12H21NO |
| Molecular Weight | 195.31 g/mol |
| Exact Mass | 195.16 |
| IUPAC Name | 3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol |
| SMILES | OC1CCC(N2CCC3(CCC3)C2)C1 |
| InChI | InChI=1S/C12H21NO/c14-11-3-2-10(8-11)13-7-6-12(9-13)4-1-5-12/h10-11,14H,1-9H2 |
| InChIKey | XISATIBFKMJLRF-UHFFFAOYSA-N |
| XLogP | 1.78 |
| TPSA | 23.47 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 195.31 |
| LogP ≤ 5 | 1.78 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol?
The IUPAC name of 3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol (CID 130949185) is 3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol?
The canonical SMILES for 3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol is OC1CCC(N2CCC3(CCC3)C2)C1.
What is the InChIKey of 3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol?
The InChIKey is XISATIBFKMJLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-11-3-2-10(8-11)13-7-6-12(9-13)4-1-5-12/h10-11,14H,1-9H2.
What are the key properties of 3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol?
3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-azaspiro[3.4]octan-6-yl)cyclopentan-1-ol is sourced from PubChem (CID 130949185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).