2-diazenylfuran-3-ol

C4H4N2O2 — CID 137192672

IUPAC2-diazenylfuran-3-ol
SMILES[H]/N=N/c1occc1O
InChIInChI=1S/C4H4N2O2/c5-6-4-3(7)1-2-8-4/h1-2,5,7H/b6-5+
InChIKeyMTSGMTGZEZBNGA-AATRIKPKSA-N
MW112.09 g/mol
LogP1.65
Rot. Bonds1

About 2-diazenylfuran-3-ol

2-diazenylfuran-3-ol (PubChem CID 137192672) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is 2-diazenylfuran-3-ol.

Molecular Properties

Compound Name2-diazenylfuran-3-ol
PubChem CID137192672
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name2-diazenylfuran-3-ol
SMILES[H]/N=N/c1occc1O
InChIInChI=1S/C4H4N2O2/c5-6-4-3(7)1-2-8-4/h1-2,5,7H/b6-5+
InChIKeyMTSGMTGZEZBNGA-AATRIKPKSA-N
XLogP1.65
TPSA69.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-diazenylfuran-3-ol?
The IUPAC name of 2-diazenylfuran-3-ol (CID 137192672) is 2-diazenylfuran-3-ol.
What is the SMILES notation for 2-diazenylfuran-3-ol?
The canonical SMILES for 2-diazenylfuran-3-ol is [H]/N=N/c1occc1O.
What is the InChIKey of 2-diazenylfuran-3-ol?
The InChIKey is MTSGMTGZEZBNGA-AATRIKPKSA-N. The full InChI is InChI=1S/C4H4N2O2/c5-6-4-3(7)1-2-8-4/h1-2,5,7H/b6-5+.
What are the key properties of 2-diazenylfuran-3-ol?
2-diazenylfuran-3-ol has a molecular weight of 112.09 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenylfuran-3-ol is sourced from PubChem (CID 137192672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).