2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide

C10H11N3O3 — CID 19382364

IUPAC2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide
SMILESCC(C)(C)C(=O)c1occc1C(=O)N=[N+]=[N-]
InChIInChI=1S/C10H11N3O3/c1-10(2,3)8(14)7-6(4-5-16-7)9(15)12-13-11/h4-5H,1-3H3
InChIKeyUAHCHXVBOLBWGQ-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.96
Rot. Bonds2

About 2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide

2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide (PubChem CID 19382364) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide
PubChem CID19382364
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide
SMILESCC(C)(C)C(=O)c1occc1C(=O)N=[N+]=[N-]
InChIInChI=1S/C10H11N3O3/c1-10(2,3)8(14)7-6(4-5-16-7)9(15)12-13-11/h4-5H,1-3H3
InChIKeyUAHCHXVBOLBWGQ-UHFFFAOYSA-N
XLogP2.96
TPSA96.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.96
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide?
The IUPAC name of 2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide (CID 19382364) is 2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide.
What is the SMILES notation for 2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide?
The canonical SMILES for 2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide is CC(C)(C)C(=O)c1occc1C(=O)N=[N+]=[N-].
What is the InChIKey of 2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide?
The InChIKey is UAHCHXVBOLBWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-10(2,3)8(14)7-6(4-5-16-7)9(15)12-13-11/h4-5H,1-3H3.
What are the key properties of 2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide?
2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide has a molecular weight of 221.22 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide is sourced from PubChem (CID 19382364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).