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

C6H12N2 — CID 134995958

IUPAC[(E)-but-1-enyl]-ethyldiazene
SMILESCC/C=C/N=N/CC
InChIInChI=1S/C6H12N2/c1-3-5-6-8-7-4-2/h5-6H,3-4H2,1-2H3/b6-5+,8-7+
InChIKeyDPAYKPKZTPTREL-BSWSSELBSA-N
MW112.18 g/mol
LogP2.38
Rot. Bonds3

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

[(E)-but-1-enyl]-ethyldiazene (PubChem CID 134995958) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is [(E)-but-1-enyl]-ethyldiazene.

Molecular Properties

Compound Name[(E)-but-1-enyl]-ethyldiazene
PubChem CID134995958
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name[(E)-but-1-enyl]-ethyldiazene
SMILESCC/C=C/N=N/CC
InChIInChI=1S/C6H12N2/c1-3-5-6-8-7-4-2/h5-6H,3-4H2,1-2H3/b6-5+,8-7+
InChIKeyDPAYKPKZTPTREL-BSWSSELBSA-N
XLogP2.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [(E)-but-1-enyl]-ethyldiazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-but-1-enyl]-ethyldiazene?
The IUPAC name of [(E)-but-1-enyl]-ethyldiazene (CID 134995958) is [(E)-but-1-enyl]-ethyldiazene.
What is the SMILES notation for [(E)-but-1-enyl]-ethyldiazene?
The canonical SMILES for [(E)-but-1-enyl]-ethyldiazene is CC/C=C/N=N/CC.
What is the InChIKey of [(E)-but-1-enyl]-ethyldiazene?
The InChIKey is DPAYKPKZTPTREL-BSWSSELBSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-5-6-8-7-4-2/h5-6H,3-4H2,1-2H3/b6-5+,8-7+.
What are the key properties of [(E)-but-1-enyl]-ethyldiazene?
[(E)-but-1-enyl]-ethyldiazene has a molecular weight of 112.18 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-1-enyl]-ethyldiazene is sourced from PubChem (CID 134995958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).