5-(3-azidoprop-1-enyl)-1-benzofuran

C11H9N3O — CID 169461862

IUPAC5-(3-azidoprop-1-enyl)-1-benzofuran
SMILES[N-]=[N+]=NCC=Cc1ccc2occc2c1
InChIInChI=1S/C11H9N3O/c12-14-13-6-1-2-9-3-4-11-10(8-9)5-7-15-11/h1-5,7-8H,6H2
InChIKeyXGORWEJMZFOAMU-UHFFFAOYSA-N
MW199.21 g/mol
LogP3.76
Rot. Bonds3

About 5-(3-azidoprop-1-enyl)-1-benzofuran

5-(3-azidoprop-1-enyl)-1-benzofuran (PubChem CID 169461862) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)-1-benzofuran.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)-1-benzofuran
PubChem CID169461862
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name5-(3-azidoprop-1-enyl)-1-benzofuran
SMILES[N-]=[N+]=NCC=Cc1ccc2occc2c1
InChIInChI=1S/C11H9N3O/c12-14-13-6-1-2-9-3-4-11-10(8-9)5-7-15-11/h1-5,7-8H,6H2
InChIKeyXGORWEJMZFOAMU-UHFFFAOYSA-N
XLogP3.76
TPSA61.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 53.76
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 5-(3-azidoprop-1-enyl)-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-azidoprop-1-enyl)-2-chloro-1,3-benzothiazole
CID 169461926
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
5-(3-azidoprop-1-enyl)-1H-indole
CID 169461878
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
5-hex-1-enyl-1-benzofuran
CID 57039277
5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole
CID 169462408
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide
CID 169465575
4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene
CID 169461583
5-(3-azidoprop-1-enyl)isoindole-1,3-dione
CID 169462453
5-(3-azidoprop-1-enyl)-3H-2-benzofuran-1-one
CID 169461898
4-(3-azidoprop-1-enyl)-2-fluorobenzonitrile
CID 169461754

Frequently Asked Questions

What is the IUPAC name of 5-(3-azidoprop-1-enyl)-1-benzofuran?
The IUPAC name of 5-(3-azidoprop-1-enyl)-1-benzofuran (CID 169461862) is 5-(3-azidoprop-1-enyl)-1-benzofuran.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)-1-benzofuran?
The canonical SMILES for 5-(3-azidoprop-1-enyl)-1-benzofuran is [N-]=[N+]=NCC=Cc1ccc2occc2c1.
What is the InChIKey of 5-(3-azidoprop-1-enyl)-1-benzofuran?
The InChIKey is XGORWEJMZFOAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-14-13-6-1-2-9-3-4-11-10(8-9)5-7-15-11/h1-5,7-8H,6H2.
What are the key properties of 5-(3-azidoprop-1-enyl)-1-benzofuran?
5-(3-azidoprop-1-enyl)-1-benzofuran has a molecular weight of 199.21 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)-1-benzofuran is sourced from PubChem (CID 169461862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).