2-[4-(4-azidophenyl)buta-1,3-dienyl]furan

C14H11N3O — CID 54209593

IUPAC2-[4-(4-azidophenyl)buta-1,3-dienyl]furan
SMILES[N-]=[N+]=Nc1ccc(C=CC=Cc2ccco2)cc1
InChIInChI=1S/C14H11N3O/c15-17-16-13-9-7-12(8-10-13)4-1-2-5-14-6-3-11-18-14/h1-11H
InChIKeyPUZOZFCUZDDRLB-UHFFFAOYSA-N
MW237.26 g/mol
LogP4.95
Rot. Bonds4

About 2-[4-(4-azidophenyl)buta-1,3-dienyl]furan

2-[4-(4-azidophenyl)buta-1,3-dienyl]furan (PubChem CID 54209593) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[4-(4-azidophenyl)buta-1,3-dienyl]furan.

Molecular Properties

Compound Name2-[4-(4-azidophenyl)buta-1,3-dienyl]furan
PubChem CID54209593
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-[4-(4-azidophenyl)buta-1,3-dienyl]furan
SMILES[N-]=[N+]=Nc1ccc(C=CC=Cc2ccco2)cc1
InChIInChI=1S/C14H11N3O/c15-17-16-13-9-7-12(8-10-13)4-1-2-5-14-6-3-11-18-14/h1-11H
InChIKeyPUZOZFCUZDDRLB-UHFFFAOYSA-N
XLogP4.95
TPSA61.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-azidophenyl)buta-1,3-dienyl]furan?
The IUPAC name of 2-[4-(4-azidophenyl)buta-1,3-dienyl]furan (CID 54209593) is 2-[4-(4-azidophenyl)buta-1,3-dienyl]furan.
What is the SMILES notation for 2-[4-(4-azidophenyl)buta-1,3-dienyl]furan?
The canonical SMILES for 2-[4-(4-azidophenyl)buta-1,3-dienyl]furan is [N-]=[N+]=Nc1ccc(C=CC=Cc2ccco2)cc1.
What is the InChIKey of 2-[4-(4-azidophenyl)buta-1,3-dienyl]furan?
The InChIKey is PUZOZFCUZDDRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-17-16-13-9-7-12(8-10-13)4-1-2-5-14-6-3-11-18-14/h1-11H.
What are the key properties of 2-[4-(4-azidophenyl)buta-1,3-dienyl]furan?
2-[4-(4-azidophenyl)buta-1,3-dienyl]furan has a molecular weight of 237.26 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-azidophenyl)buta-1,3-dienyl]furan is sourced from PubChem (CID 54209593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).