furan-3-carbonyl azide

C5H3N3O2 — CID 11499225

IUPACfuran-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccoc1
InChIInChI=1S/C5H3N3O2/c6-8-7-5(9)4-1-2-10-3-4/h1-3H
InChIKeyHEPRNHUAJNVNDN-UHFFFAOYSA-N
MW137.10 g/mol
LogP1.73
Rot. Bonds1

About furan-3-carbonyl azide

furan-3-carbonyl azide (PubChem CID 11499225) has the molecular formula C5H3N3O2 and a molecular weight of 137.10 g/mol. Its IUPAC name is furan-3-carbonyl azide.

Molecular Properties

Compound Namefuran-3-carbonyl azide
PubChem CID11499225
Molecular FormulaC5H3N3O2
Molecular Weight137.10 g/mol
Exact Mass137.02
IUPAC Namefuran-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccoc1
InChIInChI=1S/C5H3N3O2/c6-8-7-5(9)4-1-2-10-3-4/h1-3H
InChIKeyHEPRNHUAJNVNDN-UHFFFAOYSA-N
XLogP1.73
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 51.73
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 furan-3-carbonyl azide?
The IUPAC name of furan-3-carbonyl azide (CID 11499225) is furan-3-carbonyl azide.
What is the SMILES notation for furan-3-carbonyl azide?
The canonical SMILES for furan-3-carbonyl azide is [N-]=[N+]=NC(=O)c1ccoc1.
What is the InChIKey of furan-3-carbonyl azide?
The InChIKey is HEPRNHUAJNVNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O2/c6-8-7-5(9)4-1-2-10-3-4/h1-3H.
What are the key properties of furan-3-carbonyl azide?
furan-3-carbonyl azide has a molecular weight of 137.10 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-carbonyl azide is sourced from PubChem (CID 11499225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).