About furan-2-ylmethyl(phenyl)diazene
furan-2-ylmethyl(phenyl)diazene (PubChem CID 54435222) has the molecular formula C11H10N2O
and a molecular weight of 186.21 g/mol. Its IUPAC name is furan-2-ylmethyl(phenyl)diazene.
Molecular Properties
| Compound Name | furan-2-ylmethyl(phenyl)diazene |
| PubChem CID | 54435222 |
| Molecular Formula | C11H10N2O |
| Molecular Weight | 186.21 g/mol |
| Exact Mass | 186.08 |
| IUPAC Name | furan-2-ylmethyl(phenyl)diazene |
| SMILES | c1ccc(/N=N/Cc2ccco2)cc1 |
| InChI | InChI=1S/C11H10N2O/c1-2-5-10(6-3-1)13-12-9-11-7-4-8-14-11/h1-8H,9H2/b13-12+ |
| InChIKey | WKGISTYVUTVQEO-OUKQBFOZSA-N |
| XLogP | 3.56 |
| TPSA | 37.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 186.21 |
| LogP ≤ 5 | 3.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of furan-2-ylmethyl(phenyl)diazene?
The IUPAC name of furan-2-ylmethyl(phenyl)diazene (CID 54435222) is furan-2-ylmethyl(phenyl)diazene.
What is the SMILES notation for furan-2-ylmethyl(phenyl)diazene?
The canonical SMILES for furan-2-ylmethyl(phenyl)diazene is c1ccc(/N=N/Cc2ccco2)cc1.
What is the InChIKey of furan-2-ylmethyl(phenyl)diazene?
The InChIKey is WKGISTYVUTVQEO-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-5-10(6-3-1)13-12-9-11-7-4-8-14-11/h1-8H,9H2/b13-12+.
What are the key properties of furan-2-ylmethyl(phenyl)diazene?
furan-2-ylmethyl(phenyl)diazene has a molecular weight of 186.21 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl(phenyl)diazene is sourced from PubChem (CID 54435222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).