[(3E)-hexa-1,3,5-trien-3-yl]diazene

C6H8N2 — CID 91528199

IUPAC[(3E)-hexa-1,3,5-trien-3-yl]diazene
SMILES[H]/N=N/C(C=C)=C/C=C
InChIInChI=1S/C6H8N2/c1-3-5-6(4-2)8-7/h3-5,7H,1-2H2/b6-5+,8-7+
InChIKeyLKUHVCBZSXGYQJ-BSWSSELBSA-N
MW108.14 g/mol
LogP2.27
Rot. Bonds3

About [(3E)-hexa-1,3,5-trien-3-yl]diazene

[(3E)-hexa-1,3,5-trien-3-yl]diazene (PubChem CID 91528199) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is [(3E)-hexa-1,3,5-trien-3-yl]diazene.

Molecular Properties

Compound Name[(3E)-hexa-1,3,5-trien-3-yl]diazene
PubChem CID91528199
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name[(3E)-hexa-1,3,5-trien-3-yl]diazene
SMILES[H]/N=N/C(C=C)=C/C=C
InChIInChI=1S/C6H8N2/c1-3-5-6(4-2)8-7/h3-5,7H,1-2H2/b6-5+,8-7+
InChIKeyLKUHVCBZSXGYQJ-BSWSSELBSA-N
XLogP2.27
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E)-hexa-1,3,5-trien-3-yl]diazene?
The IUPAC name of [(3E)-hexa-1,3,5-trien-3-yl]diazene (CID 91528199) is [(3E)-hexa-1,3,5-trien-3-yl]diazene.
What is the SMILES notation for [(3E)-hexa-1,3,5-trien-3-yl]diazene?
The canonical SMILES for [(3E)-hexa-1,3,5-trien-3-yl]diazene is [H]/N=N/C(C=C)=C/C=C.
What is the InChIKey of [(3E)-hexa-1,3,5-trien-3-yl]diazene?
The InChIKey is LKUHVCBZSXGYQJ-BSWSSELBSA-N. The full InChI is InChI=1S/C6H8N2/c1-3-5-6(4-2)8-7/h3-5,7H,1-2H2/b6-5+,8-7+.
What are the key properties of [(3E)-hexa-1,3,5-trien-3-yl]diazene?
[(3E)-hexa-1,3,5-trien-3-yl]diazene has a molecular weight of 108.14 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-hexa-1,3,5-trien-3-yl]diazene is sourced from PubChem (CID 91528199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).