(4-ethylphenyl)methyldiazene

C9H12N2 — CID 57248399

IUPAC(4-ethylphenyl)methyldiazene
SMILES[H]/N=N/Cc1ccc(CC)cc1
InChIInChI=1S/C9H12N2/c1-2-8-3-5-9(6-4-8)7-11-10/h3-6,10H,2,7H2,1H3/b11-10+
InChIKeyUJZOBWKEZSRAGI-ZHACJKMWSA-N
MW148.21 g/mol
LogP2.78
Rot. Bonds3

About (4-ethylphenyl)methyldiazene

(4-ethylphenyl)methyldiazene (PubChem CID 57248399) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (4-ethylphenyl)methyldiazene.

Molecular Properties

Compound Name(4-ethylphenyl)methyldiazene
PubChem CID57248399
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(4-ethylphenyl)methyldiazene
SMILES[H]/N=N/Cc1ccc(CC)cc1
InChIInChI=1S/C9H12N2/c1-2-8-3-5-9(6-4-8)7-11-10/h3-6,10H,2,7H2,1H3/b11-10+
InChIKeyUJZOBWKEZSRAGI-ZHACJKMWSA-N
XLogP2.78
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.78
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 (4-ethylphenyl)methyldiazene?
The IUPAC name of (4-ethylphenyl)methyldiazene (CID 57248399) is (4-ethylphenyl)methyldiazene.
What is the SMILES notation for (4-ethylphenyl)methyldiazene?
The canonical SMILES for (4-ethylphenyl)methyldiazene is [H]/N=N/Cc1ccc(CC)cc1.
What is the InChIKey of (4-ethylphenyl)methyldiazene?
The InChIKey is UJZOBWKEZSRAGI-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-8-3-5-9(6-4-8)7-11-10/h3-6,10H,2,7H2,1H3/b11-10+.
What are the key properties of (4-ethylphenyl)methyldiazene?
(4-ethylphenyl)methyldiazene has a molecular weight of 148.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)methyldiazene is sourced from PubChem (CID 57248399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).