3-(2-azidoethyl)furan-2,5-dione

C6H5N3O3 — CID 134248877

IUPAC3-(2-azidoethyl)furan-2,5-dione
SMILES[N-]=[N+]=NCCC1=CC(=O)OC1=O
InChIInChI=1S/C6H5N3O3/c7-9-8-2-1-4-3-5(10)12-6(4)11/h3H,1-2H2
InChIKeyYIWVJSUNKSDLTB-UHFFFAOYSA-N
MW167.12 g/mol
LogP0.70
Rot. Bonds3

About 3-(2-azidoethyl)furan-2,5-dione

3-(2-azidoethyl)furan-2,5-dione (PubChem CID 134248877) has the molecular formula C6H5N3O3 and a molecular weight of 167.12 g/mol. Its IUPAC name is 3-(2-azidoethyl)furan-2,5-dione.

Molecular Properties

Compound Name3-(2-azidoethyl)furan-2,5-dione
PubChem CID134248877
Molecular FormulaC6H5N3O3
Molecular Weight167.12 g/mol
Exact Mass167.03
IUPAC Name3-(2-azidoethyl)furan-2,5-dione
SMILES[N-]=[N+]=NCCC1=CC(=O)OC1=O
InChIInChI=1S/C6H5N3O3/c7-9-8-2-1-4-3-5(10)12-6(4)11/h3H,1-2H2
InChIKeyYIWVJSUNKSDLTB-UHFFFAOYSA-N
XLogP0.70
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-tetradecylfuran-2,5-dione
CID 10565758
2,5-bis(azidomethyl)cyclohexa-2,5-diene-1,4-dione
CID 140605602
3-(2-azidoethyl)-1H-indene
CID 151053192
2-(2-azidoethyl)-1-benzothiophene
CID 150941622
2-(2-azidoethyl)-1,2-benzothiazol-3-one
CID 53315402
1-(2-azidoethyl)-4-fluorobenzene
CID 59667428
CID 167681382
CID 167681382
3-methylfuran-2,5-dione;propane
CID 175032922
(5S)-3-[4-(2-azidoethyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 59667582
4-(2-azidoethyl)benzamide
CID 22390689
2-(2-azidoethyl)-6-methylpyrazine
CID 122163839
4-(2-azidoethyl)-2,2-dimethyl-1,3-dioxole
CID 141258905

Frequently Asked Questions

What is the IUPAC name of 3-(2-azidoethyl)furan-2,5-dione?
The IUPAC name of 3-(2-azidoethyl)furan-2,5-dione (CID 134248877) is 3-(2-azidoethyl)furan-2,5-dione.
What is the SMILES notation for 3-(2-azidoethyl)furan-2,5-dione?
The canonical SMILES for 3-(2-azidoethyl)furan-2,5-dione is [N-]=[N+]=NCCC1=CC(=O)OC1=O.
What is the InChIKey of 3-(2-azidoethyl)furan-2,5-dione?
The InChIKey is YIWVJSUNKSDLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O3/c7-9-8-2-1-4-3-5(10)12-6(4)11/h3H,1-2H2.
What are the key properties of 3-(2-azidoethyl)furan-2,5-dione?
3-(2-azidoethyl)furan-2,5-dione has a molecular weight of 167.12 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azidoethyl)furan-2,5-dione is sourced from PubChem (CID 134248877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).