furan-3-yldiazene

C4H4N2O — CID 91031891

IUPACfuran-3-yldiazene
SMILES[H]/N=N/c1ccoc1
InChIInChI=1S/C4H4N2O/c5-6-4-1-2-7-3-4/h1-3,5H/b6-5+
InChIKeyPHUUSGUAONBGBV-AATRIKPKSA-N
MW96.09 g/mol
LogP1.94
Rot. Bonds1

About furan-3-yldiazene

furan-3-yldiazene (PubChem CID 91031891) has the molecular formula C4H4N2O and a molecular weight of 96.09 g/mol. Its IUPAC name is furan-3-yldiazene.

Molecular Properties

Compound Namefuran-3-yldiazene
PubChem CID91031891
Molecular FormulaC4H4N2O
Molecular Weight96.09 g/mol
Exact Mass96.03
IUPAC Namefuran-3-yldiazene
SMILES[H]/N=N/c1ccoc1
InChIInChI=1S/C4H4N2O/c5-6-4-1-2-7-3-4/h1-3,5H/b6-5+
InChIKeyPHUUSGUAONBGBV-AATRIKPKSA-N
XLogP1.94
TPSA49.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.09
LogP ≤ 51.94
H-Bond Donors ≤ 51
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-3-yldiazene?
The IUPAC name of furan-3-yldiazene (CID 91031891) is furan-3-yldiazene.
What is the SMILES notation for furan-3-yldiazene?
The canonical SMILES for furan-3-yldiazene is [H]/N=N/c1ccoc1.
What is the InChIKey of furan-3-yldiazene?
The InChIKey is PHUUSGUAONBGBV-AATRIKPKSA-N. The full InChI is InChI=1S/C4H4N2O/c5-6-4-1-2-7-3-4/h1-3,5H/b6-5+.
What are the key properties of furan-3-yldiazene?
furan-3-yldiazene has a molecular weight of 96.09 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yldiazene is sourced from PubChem (CID 91031891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).