4-[2-(4-azidophenyl)ethenyl]benzaldehyde

C15H11N3O — CID 4829281

IUPAC4-[2-(4-azidophenyl)ethenyl]benzaldehyde
SMILES[N-]=[N+]=Nc1ccc(C=Cc2ccc(C=O)cc2)cc1
InChIInChI=1S/C15H11N3O/c16-18-17-15-9-7-13(8-10-15)2-1-12-3-5-14(11-19)6-4-12/h1-11H
InChIKeyJCINGIQSSLRUGK-UHFFFAOYSA-N
MW249.27 g/mol
LogP4.61
Rot. Bonds4

About 4-[2-(4-azidophenyl)ethenyl]benzaldehyde

4-[2-(4-azidophenyl)ethenyl]benzaldehyde (PubChem CID 4829281) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-[2-(4-azidophenyl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(4-azidophenyl)ethenyl]benzaldehyde
PubChem CID4829281
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name4-[2-(4-azidophenyl)ethenyl]benzaldehyde
SMILES[N-]=[N+]=Nc1ccc(C=Cc2ccc(C=O)cc2)cc1
InChIInChI=1S/C15H11N3O/c16-18-17-15-9-7-13(8-10-15)2-1-12-3-5-14(11-19)6-4-12/h1-11H
InChIKeyJCINGIQSSLRUGK-UHFFFAOYSA-N
XLogP4.61
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-azidophenyl)ethenyl]benzaldehyde?
The IUPAC name of 4-[2-(4-azidophenyl)ethenyl]benzaldehyde (CID 4829281) is 4-[2-(4-azidophenyl)ethenyl]benzaldehyde.
What is the SMILES notation for 4-[2-(4-azidophenyl)ethenyl]benzaldehyde?
The canonical SMILES for 4-[2-(4-azidophenyl)ethenyl]benzaldehyde is [N-]=[N+]=Nc1ccc(C=Cc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[2-(4-azidophenyl)ethenyl]benzaldehyde?
The InChIKey is JCINGIQSSLRUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c16-18-17-15-9-7-13(8-10-15)2-1-12-3-5-14(11-19)6-4-12/h1-11H.
What are the key properties of 4-[2-(4-azidophenyl)ethenyl]benzaldehyde?
4-[2-(4-azidophenyl)ethenyl]benzaldehyde has a molecular weight of 249.27 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-azidophenyl)ethenyl]benzaldehyde is sourced from PubChem (CID 4829281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).