3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione

C8H9N3O3 — CID 103125772

IUPAC3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cc[nH]c2=O)C(=O)N1
InChIInChI=1S/C8H9N3O3/c12-6-2-1-5(7(13)10-6)11-4-3-9-8(11)14/h3-5H,1-2H2,(H,9,14)(H,10,12,13)
InChIKeyGGVFYFYUIJKIHB-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.85
Rot. Bonds1

About 3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione

3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione (PubChem CID 103125772) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione
PubChem CID103125772
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cc[nH]c2=O)C(=O)N1
InChIInChI=1S/C8H9N3O3/c12-6-2-1-5(7(13)10-6)11-4-3-9-8(11)14/h3-5H,1-2H2,(H,9,14)(H,10,12,13)
InChIKeyGGVFYFYUIJKIHB-UHFFFAOYSA-N
XLogP-0.85
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione (CID 103125772) is 3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione is O=C1CCC(n2cc[nH]c2=O)C(=O)N1.
What is the InChIKey of 3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione?
The InChIKey is GGVFYFYUIJKIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c12-6-2-1-5(7(13)10-6)11-4-3-9-8(11)14/h3-5H,1-2H2,(H,9,14)(H,10,12,13).
What are the key properties of 3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione?
3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione has a molecular weight of 195.18 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 103125772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).