5-methylfuran-3-carbonyl azide

C6H5N3O2 — CID 114821712

IUPAC5-methylfuran-3-carbonyl azide
SMILESCc1cc(C(=O)N=[N+]=[N-])co1
InChIInChI=1S/C6H5N3O2/c1-4-2-5(3-11-4)6(10)8-9-7/h2-3H,1H3
InChIKeyRGTOELOXCSUJHR-UHFFFAOYSA-N
MW151.12 g/mol
LogP2.04
Rot. Bonds1

About 5-methylfuran-3-carbonyl azide

5-methylfuran-3-carbonyl azide (PubChem CID 114821712) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 5-methylfuran-3-carbonyl azide.

Molecular Properties

Compound Name5-methylfuran-3-carbonyl azide
PubChem CID114821712
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name5-methylfuran-3-carbonyl azide
SMILESCc1cc(C(=O)N=[N+]=[N-])co1
InChIInChI=1S/C6H5N3O2/c1-4-2-5(3-11-4)6(10)8-9-7/h2-3H,1H3
InChIKeyRGTOELOXCSUJHR-UHFFFAOYSA-N
XLogP2.04
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 52.04
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 5-methylfuran-3-carbonyl azide?
The IUPAC name of 5-methylfuran-3-carbonyl azide (CID 114821712) is 5-methylfuran-3-carbonyl azide.
What is the SMILES notation for 5-methylfuran-3-carbonyl azide?
The canonical SMILES for 5-methylfuran-3-carbonyl azide is Cc1cc(C(=O)N=[N+]=[N-])co1.
What is the InChIKey of 5-methylfuran-3-carbonyl azide?
The InChIKey is RGTOELOXCSUJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c1-4-2-5(3-11-4)6(10)8-9-7/h2-3H,1H3.
What are the key properties of 5-methylfuran-3-carbonyl azide?
5-methylfuran-3-carbonyl azide has a molecular weight of 151.12 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylfuran-3-carbonyl azide is sourced from PubChem (CID 114821712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).