hexa-2,4-diene-3-diazonium

C6H9N2+ — CID 123583550

IUPAChexa-2,4-diene-3-diazonium
SMILESCC=CC(=CC)[N+]#N
InChIInChI=1S/C6H9N2/c1-3-5-6(4-2)8-7/h3-5H,1-2H3/q+1
InChIKeyHKARUBOVKZINCB-UHFFFAOYSA-N
MW109.15 g/mol
LogP2.32
Rot. Bonds1

About hexa-2,4-diene-3-diazonium

hexa-2,4-diene-3-diazonium (PubChem CID 123583550) has the molecular formula C6H9N2+ and a molecular weight of 109.15 g/mol. Its IUPAC name is hexa-2,4-diene-3-diazonium.

Molecular Properties

Compound Namehexa-2,4-diene-3-diazonium
PubChem CID123583550
Molecular FormulaC6H9N2+
Molecular Weight109.15 g/mol
Exact Mass109.08
IUPAC Namehexa-2,4-diene-3-diazonium
SMILESCC=CC(=CC)[N+]#N
InChIInChI=1S/C6H9N2/c1-3-5-6(4-2)8-7/h3-5H,1-2H3/q+1
InChIKeyHKARUBOVKZINCB-UHFFFAOYSA-N
XLogP2.32
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexa-2,4-diene-3-diazonium?
The IUPAC name of hexa-2,4-diene-3-diazonium (CID 123583550) is hexa-2,4-diene-3-diazonium.
What is the SMILES notation for hexa-2,4-diene-3-diazonium?
The canonical SMILES for hexa-2,4-diene-3-diazonium is CC=CC(=CC)[N+]#N.
What is the InChIKey of hexa-2,4-diene-3-diazonium?
The InChIKey is HKARUBOVKZINCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2/c1-3-5-6(4-2)8-7/h3-5H,1-2H3/q+1.
What are the key properties of hexa-2,4-diene-3-diazonium?
hexa-2,4-diene-3-diazonium has a molecular weight of 109.15 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-2,4-diene-3-diazonium is sourced from PubChem (CID 123583550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).