[(E)-hex-4-en-2-yl]diazene

C6H12N2 — CID 129143476

IUPAC[(E)-hex-4-en-2-yl]diazene
SMILES[H]/N=N/C(C)C/C=C/C
InChIInChI=1S/C6H12N2/c1-3-4-5-6(2)8-7/h3-4,6-7H,5H2,1-2H3/b4-3+,8-7+
InChIKeyGYUCBFLSSHKXOJ-DYWGDJMRSA-N
MW112.18 g/mol
LogP2.37
Rot. Bonds3

About [(E)-hex-4-en-2-yl]diazene

[(E)-hex-4-en-2-yl]diazene (PubChem CID 129143476) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is [(E)-hex-4-en-2-yl]diazene.

Molecular Properties

Compound Name[(E)-hex-4-en-2-yl]diazene
PubChem CID129143476
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name[(E)-hex-4-en-2-yl]diazene
SMILES[H]/N=N/C(C)C/C=C/C
InChIInChI=1S/C6H12N2/c1-3-4-5-6(2)8-7/h3-4,6-7H,5H2,1-2H3/b4-3+,8-7+
InChIKeyGYUCBFLSSHKXOJ-DYWGDJMRSA-N
XLogP2.37
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 52.37
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 [(E)-hex-4-en-2-yl]diazene?
The IUPAC name of [(E)-hex-4-en-2-yl]diazene (CID 129143476) is [(E)-hex-4-en-2-yl]diazene.
What is the SMILES notation for [(E)-hex-4-en-2-yl]diazene?
The canonical SMILES for [(E)-hex-4-en-2-yl]diazene is [H]/N=N/C(C)C/C=C/C.
What is the InChIKey of [(E)-hex-4-en-2-yl]diazene?
The InChIKey is GYUCBFLSSHKXOJ-DYWGDJMRSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-5-6(2)8-7/h3-4,6-7H,5H2,1-2H3/b4-3+,8-7+.
What are the key properties of [(E)-hex-4-en-2-yl]diazene?
[(E)-hex-4-en-2-yl]diazene has a molecular weight of 112.18 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-4-en-2-yl]diazene is sourced from PubChem (CID 129143476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).