1-diazoethylbenzene

C8H8N2 — CID 11789245

IUPAC1-diazoethylbenzene
SMILESCC(=[N+]=[N-])c1ccccc1
InChIInChI=1S/C8H8N2/c1-7(10-9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyZJUUFFQSHKFHKD-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.73
Rot. Bonds1

About 1-diazoethylbenzene

1-diazoethylbenzene (PubChem CID 11789245) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1-diazoethylbenzene.

Molecular Properties

Compound Name1-diazoethylbenzene
PubChem CID11789245
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1-diazoethylbenzene
SMILESCC(=[N+]=[N-])c1ccccc1
InChIInChI=1S/C8H8N2/c1-7(10-9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyZJUUFFQSHKFHKD-UHFFFAOYSA-N
XLogP1.73
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diazoethylbenzene?
The IUPAC name of 1-diazoethylbenzene (CID 11789245) is 1-diazoethylbenzene.
What is the SMILES notation for 1-diazoethylbenzene?
The canonical SMILES for 1-diazoethylbenzene is CC(=[N+]=[N-])c1ccccc1.
What is the InChIKey of 1-diazoethylbenzene?
The InChIKey is ZJUUFFQSHKFHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-7(10-9)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 1-diazoethylbenzene?
1-diazoethylbenzene has a molecular weight of 132.17 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazoethylbenzene is sourced from PubChem (CID 11789245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).