About 6-azabicyclo[3.1.0]hexan-2-ol
6-azabicyclo[3.1.0]hexan-2-ol (PubChem CID 55301151) has the molecular formula C5H9NO
and a molecular weight of 99.13 g/mol. Its IUPAC name is 6-azabicyclo[3.1.0]hexan-2-ol.
Molecular Properties
| Compound Name | 6-azabicyclo[3.1.0]hexan-2-ol |
|---|
| PubChem CID | 55301151 |
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| Molecular Formula | C5H9NO |
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| Molecular Weight | 99.13 g/mol |
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| Exact Mass | 99.07 |
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| IUPAC Name | 6-azabicyclo[3.1.0]hexan-2-ol |
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| SMILES | OC1CCC2NC12 |
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| InChI | InChI=1S/C5H9NO/c7-4-2-1-3-5(4)6-3/h3-7H,1-2H2 |
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| InChIKey | VQFYMRQVBNYGJP-UHFFFAOYSA-N |
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| XLogP | -0.52 |
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| TPSA | 42.17 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 99.13 |
| LogP ≤ 5 | -0.52 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-azabicyclo[3.1.0]hexan-2-ol?
The IUPAC name of 6-azabicyclo[3.1.0]hexan-2-ol (CID 55301151) is 6-azabicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for 6-azabicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for 6-azabicyclo[3.1.0]hexan-2-ol is OC1CCC2NC12.
What is the InChIKey of 6-azabicyclo[3.1.0]hexan-2-ol?
The InChIKey is VQFYMRQVBNYGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c7-4-2-1-3-5(4)6-3/h3-7H,1-2H2.
What are the key properties of 6-azabicyclo[3.1.0]hexan-2-ol?
6-azabicyclo[3.1.0]hexan-2-ol has a molecular weight of 99.13 g/mol, XLogP of -0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azabicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 55301151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).