About (1R,5S)-3-azoniabicyclo[3.1.0]hexane
(1R,5S)-3-azoniabicyclo[3.1.0]hexane (PubChem CID 23240088) has the molecular formula C5H10N+
and a molecular weight of 84.14 g/mol. Its IUPAC name is (1R,5S)-3-azoniabicyclo[3.1.0]hexane.
Molecular Properties
| Compound Name | (1R,5S)-3-azoniabicyclo[3.1.0]hexane |
|---|
| PubChem CID | 23240088 |
|---|
| Molecular Formula | C5H10N+ |
|---|
| Molecular Weight | 84.14 g/mol |
|---|
| Exact Mass | 84.08 |
|---|
| IUPAC Name | (1R,5S)-3-azoniabicyclo[3.1.0]hexane |
|---|
| SMILES | C1[NH2+]C[C@H]2C[C@@H]12 |
|---|
| InChI | InChI=1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2/p+1/t4-,5+ |
|---|
| InChIKey | HGWUUOXXAIISDB-SYDPRGILSA-O |
|---|
| XLogP | -0.80 |
|---|
| TPSA | 16.61 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 6 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 84.14 |
| LogP ≤ 5 | -0.80 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of (1R,5S)-3-azoniabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-3-azoniabicyclo[3.1.0]hexane (CID 23240088) is (1R,5S)-3-azoniabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-3-azoniabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-3-azoniabicyclo[3.1.0]hexane is C1[NH2+]C[C@H]2C[C@@H]12.
What is the InChIKey of (1R,5S)-3-azoniabicyclo[3.1.0]hexane?
The InChIKey is HGWUUOXXAIISDB-SYDPRGILSA-O. The full InChI is InChI=1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2/p+1/t4-,5+.
What are the key properties of (1R,5S)-3-azoniabicyclo[3.1.0]hexane?
(1R,5S)-3-azoniabicyclo[3.1.0]hexane has a molecular weight of 84.14 g/mol, XLogP of -0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-azoniabicyclo[3.1.0]hexane is sourced from PubChem (CID 23240088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).