2H-pyran-6-yldiazene

C5H6N2O — CID 22995387

IUPAC2H-pyran-6-yldiazene
SMILES[H]/N=N/C1=CC=CCO1
InChIInChI=1S/C5H6N2O/c6-7-5-3-1-2-4-8-5/h1-3,6H,4H2/b7-6+
InChIKeyAJABAUOTLXUYMZ-VOTSOKGWSA-N
MW110.12 g/mol
LogP1.45
Rot. Bonds1

About 2H-pyran-6-yldiazene

2H-pyran-6-yldiazene (PubChem CID 22995387) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 2H-pyran-6-yldiazene.

Molecular Properties

Compound Name2H-pyran-6-yldiazene
PubChem CID22995387
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name2H-pyran-6-yldiazene
SMILES[H]/N=N/C1=CC=CCO1
InChIInChI=1S/C5H6N2O/c6-7-5-3-1-2-4-8-5/h1-3,6H,4H2/b7-6+
InChIKeyAJABAUOTLXUYMZ-VOTSOKGWSA-N
XLogP1.45
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 51.45
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 2H-pyran-6-yldiazene?
The IUPAC name of 2H-pyran-6-yldiazene (CID 22995387) is 2H-pyran-6-yldiazene.
What is the SMILES notation for 2H-pyran-6-yldiazene?
The canonical SMILES for 2H-pyran-6-yldiazene is [H]/N=N/C1=CC=CCO1.
What is the InChIKey of 2H-pyran-6-yldiazene?
The InChIKey is AJABAUOTLXUYMZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C5H6N2O/c6-7-5-3-1-2-4-8-5/h1-3,6H,4H2/b7-6+.
What are the key properties of 2H-pyran-6-yldiazene?
2H-pyran-6-yldiazene has a molecular weight of 110.12 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-6-yldiazene is sourced from PubChem (CID 22995387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).