About 8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 24989689) has the molecular formula C10H18N2O
and a molecular weight of 182.27 g/mol. Its IUPAC name is 8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol.
Molecular Properties
| Compound Name | 8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol |
| PubChem CID | 24989689 |
| Molecular Formula | C10H18N2O |
| Molecular Weight | 182.27 g/mol |
| Exact Mass | 182.14 |
| IUPAC Name | 8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol |
| SMILES | OC1CC2CCC(C1)N2C1CNC1 |
| InChI | InChI=1S/C10H18N2O/c13-10-3-7-1-2-8(4-10)12(7)9-5-11-6-9/h7-11,13H,1-6H2 |
| InChIKey | FBDHBTBBWJKEEY-UHFFFAOYSA-N |
| XLogP | -0.05 |
| TPSA | 35.50 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 182.27 |
| LogP ≤ 5 | -0.05 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 24989689) is 8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2C1CNC1.
What is the InChIKey of 8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FBDHBTBBWJKEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c13-10-3-7-1-2-8(4-10)12(7)9-5-11-6-9/h7-11,13H,1-6H2.
What are the key properties of 8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 182.27 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 24989689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).