1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine

C6H11N3 — CID 139439361

IUPAC1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine
SMILESC=C(N)/N=N/C(C)=C\C
InChIInChI=1S/C6H11N3/c1-4-5(2)8-9-6(3)7/h4H,3,7H2,1-2H3/b5-4-,9-8+
InChIKeyAXYNKZYOEFIRDE-FTGFODROSA-N
MW125.17 g/mol
LogP1.79
Rot. Bonds2

About 1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine

1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine (PubChem CID 139439361) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine.

Molecular Properties

Compound Name1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine
PubChem CID139439361
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine
SMILESC=C(N)/N=N/C(C)=C\C
InChIInChI=1S/C6H11N3/c1-4-5(2)8-9-6(3)7/h4H,3,7H2,1-2H3/b5-4-,9-8+
InChIKeyAXYNKZYOEFIRDE-FTGFODROSA-N
XLogP1.79
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine?
The IUPAC name of 1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine (CID 139439361) is 1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine.
What is the SMILES notation for 1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine?
The canonical SMILES for 1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine is C=C(N)/N=N/C(C)=C\C.
What is the InChIKey of 1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine?
The InChIKey is AXYNKZYOEFIRDE-FTGFODROSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-5(2)8-9-6(3)7/h4H,3,7H2,1-2H3/b5-4-,9-8+.
What are the key properties of 1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine?
1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine has a molecular weight of 125.17 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-but-2-en-2-yl]diazenyl]ethenamine is sourced from PubChem (CID 139439361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).