About 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol
1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol (PubChem CID 167731589) has the molecular formula C8H15NO2
and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol.
Molecular Properties
| Compound Name | 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol |
| PubChem CID | 167731589 |
| Molecular Formula | C8H15NO2 |
| Molecular Weight | 157.21 g/mol |
| Exact Mass | 157.11 |
| IUPAC Name | 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol |
| SMILES | OCC1CCC2(CCNC2)O1 |
| InChI | InChI=1S/C8H15NO2/c10-5-7-1-2-8(11-7)3-4-9-6-8/h7,9-10H,1-6H2 |
| InChIKey | YPIDVXSCIQFTSE-UHFFFAOYSA-N |
| XLogP | -0.11 |
| TPSA | 41.49 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 157.21 |
| LogP ≤ 5 | -0.11 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Analyze 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol?
The IUPAC name of 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol (CID 167731589) is 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol.
What is the SMILES notation for 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol?
The canonical SMILES for 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol is OCC1CCC2(CCNC2)O1.
What is the InChIKey of 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol?
The InChIKey is YPIDVXSCIQFTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c10-5-7-1-2-8(11-7)3-4-9-6-8/h7,9-10H,1-6H2.
What are the key properties of 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol?
1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol has a molecular weight of 157.21 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol is sourced from PubChem (CID 167731589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).