furan-2-ylmethyl(phenyl)diazene

C11H10N2O — CID 54435222

IUPACfuran-2-ylmethyl(phenyl)diazene
SMILESc1ccc(/N=N/Cc2ccco2)cc1
InChIInChI=1S/C11H10N2O/c1-2-5-10(6-3-1)13-12-9-11-7-4-8-14-11/h1-8H,9H2/b13-12+
InChIKeyWKGISTYVUTVQEO-OUKQBFOZSA-N
MW186.21 g/mol
LogP3.56
Rot. Bonds3

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 Namefuran-2-ylmethyl(phenyl)diazene
PubChem CID54435222
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Namefuran-2-ylmethyl(phenyl)diazene
SMILESc1ccc(/N=N/Cc2ccco2)cc1
InChIInChI=1S/C11H10N2O/c1-2-5-10(6-3-1)13-12-9-11-7-4-8-14-11/h1-8H,9H2/b13-12+
InChIKeyWKGISTYVUTVQEO-OUKQBFOZSA-N
XLogP3.56
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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).