2,5-dimethylfuran-3-carbonyl azide

C7H7N3O2 — CID 3580144

IUPAC2,5-dimethylfuran-3-carbonyl azide
SMILESCc1cc(C(=O)N=[N+]=[N-])c(C)o1
InChIInChI=1S/C7H7N3O2/c1-4-3-6(5(2)12-4)7(11)9-10-8/h3H,1-2H3
InChIKeyRXFJIFSRJBLRRM-UHFFFAOYSA-N
MW165.15 g/mol
LogP2.35
Rot. Bonds1

About 2,5-dimethylfuran-3-carbonyl azide

2,5-dimethylfuran-3-carbonyl azide (PubChem CID 3580144) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2,5-dimethylfuran-3-carbonyl azide.

Molecular Properties

Compound Name2,5-dimethylfuran-3-carbonyl azide
PubChem CID3580144
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name2,5-dimethylfuran-3-carbonyl azide
SMILESCc1cc(C(=O)N=[N+]=[N-])c(C)o1
InChIInChI=1S/C7H7N3O2/c1-4-3-6(5(2)12-4)7(11)9-10-8/h3H,1-2H3
InChIKeyRXFJIFSRJBLRRM-UHFFFAOYSA-N
XLogP2.35
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 52.35
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran-3-carbonyl azide?
The IUPAC name of 2,5-dimethylfuran-3-carbonyl azide (CID 3580144) is 2,5-dimethylfuran-3-carbonyl azide.
What is the SMILES notation for 2,5-dimethylfuran-3-carbonyl azide?
The canonical SMILES for 2,5-dimethylfuran-3-carbonyl azide is Cc1cc(C(=O)N=[N+]=[N-])c(C)o1.
What is the InChIKey of 2,5-dimethylfuran-3-carbonyl azide?
The InChIKey is RXFJIFSRJBLRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-4-3-6(5(2)12-4)7(11)9-10-8/h3H,1-2H3.
What are the key properties of 2,5-dimethylfuran-3-carbonyl azide?
2,5-dimethylfuran-3-carbonyl azide has a molecular weight of 165.15 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran-3-carbonyl azide is sourced from PubChem (CID 3580144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).