but-2-en-2-yldiazene

C4H8N2 — CID 20732290

IUPACbut-2-en-2-yldiazene
SMILES[H]/N=N/C(C)=CC
InChIInChI=1S/C4H8N2/c1-3-4(2)6-5/h3,5H,1-2H3/b4-3?,6-5+
InChIKeyMREUBVAQQOZBLC-DSSYRYGXSA-N
MW84.12 g/mol
LogP1.94
Rot. Bonds1

About but-2-en-2-yldiazene

but-2-en-2-yldiazene (PubChem CID 20732290) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is but-2-en-2-yldiazene.

Molecular Properties

Compound Namebut-2-en-2-yldiazene
PubChem CID20732290
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Namebut-2-en-2-yldiazene
SMILES[H]/N=N/C(C)=CC
InChIInChI=1S/C4H8N2/c1-3-4(2)6-5/h3,5H,1-2H3/b4-3?,6-5+
InChIKeyMREUBVAQQOZBLC-DSSYRYGXSA-N
XLogP1.94
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 but-2-en-2-yldiazene?
The IUPAC name of but-2-en-2-yldiazene (CID 20732290) is but-2-en-2-yldiazene.
What is the SMILES notation for but-2-en-2-yldiazene?
The canonical SMILES for but-2-en-2-yldiazene is [H]/N=N/C(C)=CC.
What is the InChIKey of but-2-en-2-yldiazene?
The InChIKey is MREUBVAQQOZBLC-DSSYRYGXSA-N. The full InChI is InChI=1S/C4H8N2/c1-3-4(2)6-5/h3,5H,1-2H3/b4-3?,6-5+.
What are the key properties of but-2-en-2-yldiazene?
but-2-en-2-yldiazene has a molecular weight of 84.12 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-yldiazene is sourced from PubChem (CID 20732290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).