[(E)-but-1-enyl]diazene

C4H8N2 — CID 173497788

IUPAC[(E)-but-1-enyl]diazene
SMILES[H]/N=N/C=C/CC
InChIInChI=1S/C4H8N2/c1-2-3-4-6-5/h3-5H,2H2,1H3/b4-3+,6-5+
InChIKeyYFNBOTRDXGOBFW-VNKDHWASSA-N
MW84.12 g/mol
LogP1.94
Rot. Bonds2

About [(E)-but-1-enyl]diazene

[(E)-but-1-enyl]diazene (PubChem CID 173497788) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is [(E)-but-1-enyl]diazene.

Molecular Properties

Compound Name[(E)-but-1-enyl]diazene
PubChem CID173497788
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name[(E)-but-1-enyl]diazene
SMILES[H]/N=N/C=C/CC
InChIInChI=1S/C4H8N2/c1-2-3-4-6-5/h3-5H,2H2,1H3/b4-3+,6-5+
InChIKeyYFNBOTRDXGOBFW-VNKDHWASSA-N
XLogP1.94
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 51.94
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'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-but-1-enyl]diazene?
The IUPAC name of [(E)-but-1-enyl]diazene (CID 173497788) is [(E)-but-1-enyl]diazene.
What is the SMILES notation for [(E)-but-1-enyl]diazene?
The canonical SMILES for [(E)-but-1-enyl]diazene is [H]/N=N/C=C/CC.
What is the InChIKey of [(E)-but-1-enyl]diazene?
The InChIKey is YFNBOTRDXGOBFW-VNKDHWASSA-N. The full InChI is InChI=1S/C4H8N2/c1-2-3-4-6-5/h3-5H,2H2,1H3/b4-3+,6-5+.
What are the key properties of [(E)-but-1-enyl]diazene?
[(E)-but-1-enyl]diazene has a molecular weight of 84.12 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-1-enyl]diazene is sourced from PubChem (CID 173497788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).