About 6,6-dibromo-3-azabicyclo[3.1.0]hexane
6,6-dibromo-3-azabicyclo[3.1.0]hexane (PubChem CID 122164447) has the molecular formula C5H7Br2N
and a molecular weight of 240.93 g/mol. Its IUPAC name is 6,6-dibromo-3-azabicyclo[3.1.0]hexane.
Molecular Properties
| Compound Name | 6,6-dibromo-3-azabicyclo[3.1.0]hexane |
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| PubChem CID | 122164447 |
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| Molecular Formula | C5H7Br2N |
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| Molecular Weight | 240.93 g/mol |
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| Exact Mass | 238.89 |
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| IUPAC Name | 6,6-dibromo-3-azabicyclo[3.1.0]hexane |
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| SMILES | BrC1(Br)C2CNCC21 |
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| InChI | InChI=1S/C5H7Br2N/c6-5(7)3-1-8-2-4(3)5/h3-4,8H,1-2H2 |
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| InChIKey | ABURLYYXXXDZKZ-UHFFFAOYSA-N |
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| XLogP | 1.32 |
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| TPSA | 12.03 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 240.93 |
| LogP ≤ 5 | 1.32 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6,6-dibromo-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6,6-dibromo-3-azabicyclo[3.1.0]hexane (CID 122164447) is 6,6-dibromo-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6,6-dibromo-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6,6-dibromo-3-azabicyclo[3.1.0]hexane is BrC1(Br)C2CNCC21.
What is the InChIKey of 6,6-dibromo-3-azabicyclo[3.1.0]hexane?
The InChIKey is ABURLYYXXXDZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Br2N/c6-5(7)3-1-8-2-4(3)5/h3-4,8H,1-2H2.
What are the key properties of 6,6-dibromo-3-azabicyclo[3.1.0]hexane?
6,6-dibromo-3-azabicyclo[3.1.0]hexane has a molecular weight of 240.93 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dibromo-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 122164447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).