but-1-enyldiazene

C4H8N2 — CID 123614367

IUPACbut-1-enyldiazene
SMILES[H]/N=N/C=CCC
InChIInChI=1S/C4H8N2/c1-2-3-4-6-5/h3-5H,2H2,1H3/b4-3?,6-5+
InChIKeyYFNBOTRDXGOBFW-DSSYRYGXSA-N
MW84.12 g/mol
LogP1.94
Rot. Bonds2

About but-1-enyldiazene

but-1-enyldiazene (PubChem CID 123614367) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is but-1-enyldiazene.

Molecular Properties

Compound Namebut-1-enyldiazene
PubChem CID123614367
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Namebut-1-enyldiazene
SMILES[H]/N=N/C=CCC
InChIInChI=1S/C4H8N2/c1-2-3-4-6-5/h3-5H,2H2,1H3/b4-3?,6-5+
InChIKeyYFNBOTRDXGOBFW-DSSYRYGXSA-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 but-1-enyldiazene?
The IUPAC name of but-1-enyldiazene (CID 123614367) is but-1-enyldiazene.
What is the SMILES notation for but-1-enyldiazene?
The canonical SMILES for but-1-enyldiazene is [H]/N=N/C=CCC.
What is the InChIKey of but-1-enyldiazene?
The InChIKey is YFNBOTRDXGOBFW-DSSYRYGXSA-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 but-1-enyldiazene?
but-1-enyldiazene 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 but-1-enyldiazene is sourced from PubChem (CID 123614367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).