5-(4-azidobut-1-enyl)furan-2-carbaldehyde

C9H9N3O2 — CID 170484697

IUPAC5-(4-azidobut-1-enyl)furan-2-carbaldehyde
SMILES[N-]=[N+]=NCCC=Cc1ccc(C=O)o1
InChIInChI=1S/C9H9N3O2/c10-12-11-6-2-1-3-8-4-5-9(7-13)14-8/h1,3-5,7H,2,6H2
InChIKeyZFDNFARCLTZRIM-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.81
Rot. Bonds5

About 5-(4-azidobut-1-enyl)furan-2-carbaldehyde

5-(4-azidobut-1-enyl)furan-2-carbaldehyde (PubChem CID 170484697) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-(4-azidobut-1-enyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-azidobut-1-enyl)furan-2-carbaldehyde
PubChem CID170484697
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name5-(4-azidobut-1-enyl)furan-2-carbaldehyde
SMILES[N-]=[N+]=NCCC=Cc1ccc(C=O)o1
InChIInChI=1S/C9H9N3O2/c10-12-11-6-2-1-3-8-4-5-9(7-13)14-8/h1,3-5,7H,2,6H2
InChIKeyZFDNFARCLTZRIM-UHFFFAOYSA-N
XLogP2.81
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-azidoprop-1-enyl)furan-2-carbaldehyde
CID 169461233
5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde
CID 170475985
5-(azidomethyl)furan-2-carbaldehyde
CID 52915712
5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde
CID 13162508
2-(4-azidobut-1-enyl)-5-methylbenzaldehyde
CID 170485179
4-(4-azidobut-1-enyl)-2-hydroxybenzaldehyde
CID 170485123
2-(4-azidobut-1-enyl)-3-chlorobenzaldehyde
CID 170485154
6-(4-azidobut-1-enyl)-2-methyl-1,3-benzoxazole
CID 170485478
2-(4-azidobut-1-enyl)-3-chloropyridine
CID 170484737
1-[4-(4-azidobut-1-enyl)phenyl]ethanone
CID 170485177
4-(4-azidobut-1-enyl)-3-nitrobenzaldehyde
CID 170485947
5-(4-azidobut-1-enyl)-2-nitrobenzaldehyde
CID 170485944

Frequently Asked Questions

What is the IUPAC name of 5-(4-azidobut-1-enyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-azidobut-1-enyl)furan-2-carbaldehyde (CID 170484697) is 5-(4-azidobut-1-enyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-azidobut-1-enyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-azidobut-1-enyl)furan-2-carbaldehyde is [N-]=[N+]=NCCC=Cc1ccc(C=O)o1.
What is the InChIKey of 5-(4-azidobut-1-enyl)furan-2-carbaldehyde?
The InChIKey is ZFDNFARCLTZRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-12-11-6-2-1-3-8-4-5-9(7-13)14-8/h1,3-5,7H,2,6H2.
What are the key properties of 5-(4-azidobut-1-enyl)furan-2-carbaldehyde?
5-(4-azidobut-1-enyl)furan-2-carbaldehyde has a molecular weight of 191.19 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-azidobut-1-enyl)furan-2-carbaldehyde is sourced from PubChem (CID 170484697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).