4-azidobenzoic acid;pyrrolidine-2,5-dione

C11H10N4O4 — CID 19083385

IUPAC4-azidobenzoic acid;pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1.[N-]=[N+]=Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H5N3O2.C4H5NO2/c8-10-9-6-3-1-5(2-4-6)7(11)12;6-3-1-2-4(7)5-3/h1-4H,(H,11,12);1-2H2,(H,5,6,7)
InChIKeyWYFGQGIBLUGMEY-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.75
Rot. Bonds2

About 4-azidobenzoic acid;pyrrolidine-2,5-dione

4-azidobenzoic acid;pyrrolidine-2,5-dione (PubChem CID 19083385) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-azidobenzoic acid;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name4-azidobenzoic acid;pyrrolidine-2,5-dione
PubChem CID19083385
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name4-azidobenzoic acid;pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1.[N-]=[N+]=Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H5N3O2.C4H5NO2/c8-10-9-6-3-1-5(2-4-6)7(11)12;6-3-1-2-4(7)5-3/h1-4H,(H,11,12);1-2H2,(H,5,6,7)
InChIKeyWYFGQGIBLUGMEY-UHFFFAOYSA-N
XLogP1.75
TPSA132.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
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': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azidobenzoic acid;pyrrolidine-2,5-dione?
The IUPAC name of 4-azidobenzoic acid;pyrrolidine-2,5-dione (CID 19083385) is 4-azidobenzoic acid;pyrrolidine-2,5-dione.
What is the SMILES notation for 4-azidobenzoic acid;pyrrolidine-2,5-dione?
The canonical SMILES for 4-azidobenzoic acid;pyrrolidine-2,5-dione is O=C1CCC(=O)N1.[N-]=[N+]=Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-azidobenzoic acid;pyrrolidine-2,5-dione?
The InChIKey is WYFGQGIBLUGMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2.C4H5NO2/c8-10-9-6-3-1-5(2-4-6)7(11)12;6-3-1-2-4(7)5-3/h1-4H,(H,11,12);1-2H2,(H,5,6,7).
What are the key properties of 4-azidobenzoic acid;pyrrolidine-2,5-dione?
4-azidobenzoic acid;pyrrolidine-2,5-dione has a molecular weight of 262.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azidobenzoic acid;pyrrolidine-2,5-dione is sourced from PubChem (CID 19083385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).