[(1Z,4Z)-hexa-1,4-dienyl]diazene

C6H10N2 — CID 145324665

IUPAC[(1Z,4Z)-hexa-1,4-dienyl]diazene
SMILES[H]/N=N/C=C\C/C=C\C
InChIInChI=1S/C6H10N2/c1-2-3-4-5-6-8-7/h2-3,5-7H,4H2,1H3/b3-2-,6-5-,8-7+
InChIKeyHVHVQRQXNDZACY-SCICEKEASA-N
MW110.16 g/mol
LogP2.50
Rot. Bonds3

About [(1Z,4Z)-hexa-1,4-dienyl]diazene

[(1Z,4Z)-hexa-1,4-dienyl]diazene (PubChem CID 145324665) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is [(1Z,4Z)-hexa-1,4-dienyl]diazene.

Molecular Properties

Compound Name[(1Z,4Z)-hexa-1,4-dienyl]diazene
PubChem CID145324665
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name[(1Z,4Z)-hexa-1,4-dienyl]diazene
SMILES[H]/N=N/C=C\C/C=C\C
InChIInChI=1S/C6H10N2/c1-2-3-4-5-6-8-7/h2-3,5-7H,4H2,1H3/b3-2-,6-5-,8-7+
InChIKeyHVHVQRQXNDZACY-SCICEKEASA-N
XLogP2.50
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 52.50
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1Z,4Z)-hexa-1,4-dienyl]diazene?
The IUPAC name of [(1Z,4Z)-hexa-1,4-dienyl]diazene (CID 145324665) is [(1Z,4Z)-hexa-1,4-dienyl]diazene.
What is the SMILES notation for [(1Z,4Z)-hexa-1,4-dienyl]diazene?
The canonical SMILES for [(1Z,4Z)-hexa-1,4-dienyl]diazene is [H]/N=N/C=C\C/C=C\C.
What is the InChIKey of [(1Z,4Z)-hexa-1,4-dienyl]diazene?
The InChIKey is HVHVQRQXNDZACY-SCICEKEASA-N. The full InChI is InChI=1S/C6H10N2/c1-2-3-4-5-6-8-7/h2-3,5-7H,4H2,1H3/b3-2-,6-5-,8-7+.
What are the key properties of [(1Z,4Z)-hexa-1,4-dienyl]diazene?
[(1Z,4Z)-hexa-1,4-dienyl]diazene has a molecular weight of 110.16 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,4Z)-hexa-1,4-dienyl]diazene is sourced from PubChem (CID 145324665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).