2-methylbut-3-en-2-yl(phenyl)diazene

C11H14N2 — CID 14940485

IUPAC2-methylbut-3-en-2-yl(phenyl)diazene
SMILESC=CC(C)(C)/N=N/c1ccccc1
InChIInChI=1S/C11H14N2/c1-4-11(2,3)13-12-10-8-6-5-7-9-10/h4-9H,1H2,2-3H3/b13-12+
InChIKeyIQLPBUOJKJSZBJ-OUKQBFOZSA-N
MW174.25 g/mol
LogP3.73
Rot. Bonds3

About 2-methylbut-3-en-2-yl(phenyl)diazene

2-methylbut-3-en-2-yl(phenyl)diazene (PubChem CID 14940485) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-methylbut-3-en-2-yl(phenyl)diazene.

Molecular Properties

Compound Name2-methylbut-3-en-2-yl(phenyl)diazene
PubChem CID14940485
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-methylbut-3-en-2-yl(phenyl)diazene
SMILESC=CC(C)(C)/N=N/c1ccccc1
InChIInChI=1S/C11H14N2/c1-4-11(2,3)13-12-10-8-6-5-7-9-10/h4-9H,1H2,2-3H3/b13-12+
InChIKeyIQLPBUOJKJSZBJ-OUKQBFOZSA-N
XLogP3.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 53.73
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylbut-3-en-2-yl(phenyl)diazene?
The IUPAC name of 2-methylbut-3-en-2-yl(phenyl)diazene (CID 14940485) is 2-methylbut-3-en-2-yl(phenyl)diazene.
What is the SMILES notation for 2-methylbut-3-en-2-yl(phenyl)diazene?
The canonical SMILES for 2-methylbut-3-en-2-yl(phenyl)diazene is C=CC(C)(C)/N=N/c1ccccc1.
What is the InChIKey of 2-methylbut-3-en-2-yl(phenyl)diazene?
The InChIKey is IQLPBUOJKJSZBJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H14N2/c1-4-11(2,3)13-12-10-8-6-5-7-9-10/h4-9H,1H2,2-3H3/b13-12+.
What are the key properties of 2-methylbut-3-en-2-yl(phenyl)diazene?
2-methylbut-3-en-2-yl(phenyl)diazene has a molecular weight of 174.25 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-3-en-2-yl(phenyl)diazene is sourced from PubChem (CID 14940485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).