1-(5-azidofuran-2-yl)ethanone

C6H5N3O2 — CID 13213332

IUPAC1-(5-azidofuran-2-yl)ethanone
SMILESCC(=O)c1ccc(N=[N+]=[N-])o1
InChIInChI=1S/C6H5N3O2/c1-4(10)5-2-3-6(11-5)8-9-7/h2-3H,1H3
InChIKeyROZYQDUADXQNEO-UHFFFAOYSA-N
MW151.12 g/mol
LogP2.42
Rot. Bonds2

About 1-(5-azidofuran-2-yl)ethanone

1-(5-azidofuran-2-yl)ethanone (PubChem CID 13213332) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 1-(5-azidofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-azidofuran-2-yl)ethanone
PubChem CID13213332
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name1-(5-azidofuran-2-yl)ethanone
SMILESCC(=O)c1ccc(N=[N+]=[N-])o1
InChIInChI=1S/C6H5N3O2/c1-4(10)5-2-3-6(11-5)8-9-7/h2-3H,1H3
InChIKeyROZYQDUADXQNEO-UHFFFAOYSA-N
XLogP2.42
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(5-azidofuran-2-yl)ethanone 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

2-Acetyl-5-nitrofuran
CID 21348
1-(5-Nitro-2-furyl)-1-pentanone
CID 228591
1-(5-Nitrofuran-2-yl)propan-1-one
CID 228582
5-Azidofuran-2-carbaldehyde
CID 12570150
1-(5-Nitrofuran-2-yl)butan-1-one
CID 228585
Bromomethyl-5-nitro-2-furylketone
CID 11241786
2-Furancarboxaldehyde, 5-amino-
CID 14173662
1-(5-Nitrofuran-2-yl)prop-2-en-1-one
CID 20831740
(5-Nitro-2-furoyl)acetone
CID 23341175
5-Nitro-2-furylglyoxal aldoxime
CID 23262869
5-Azido-3-bromofuran-2-carbaldehyde
CID 85864960
2-Mercaptoacetyl-5-nitrofuran
CID 129780125

Frequently Asked Questions

What is the IUPAC name of 1-(5-azidofuran-2-yl)ethanone?
The IUPAC name of 1-(5-azidofuran-2-yl)ethanone (CID 13213332) is 1-(5-azidofuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-azidofuran-2-yl)ethanone?
The canonical SMILES for 1-(5-azidofuran-2-yl)ethanone is CC(=O)c1ccc(N=[N+]=[N-])o1.
What is the InChIKey of 1-(5-azidofuran-2-yl)ethanone?
The InChIKey is ROZYQDUADXQNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c1-4(10)5-2-3-6(11-5)8-9-7/h2-3H,1H3.
What are the key properties of 1-(5-azidofuran-2-yl)ethanone?
1-(5-azidofuran-2-yl)ethanone has a molecular weight of 151.12 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azidofuran-2-yl)ethanone is sourced from PubChem (CID 13213332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).