4-hydroxypyrrolidine-2,3,5-trione

C4H3NO4 — CID 23104087

IUPAC4-hydroxypyrrolidine-2,3,5-trione
SMILESO=C1NC(=O)C(O)C1=O
InChIInChI=1S/C4H3NO4/c6-1-2(7)4(9)5-3(1)8/h1,6H,(H,5,8,9)
InChIKeyOLGCGZGGNOFGNY-UHFFFAOYSA-N
MW129.07 g/mol
LogP-2.43
Rot. Bonds

About 4-hydroxypyrrolidine-2,3,5-trione

4-hydroxypyrrolidine-2,3,5-trione (PubChem CID 23104087) has the molecular formula C4H3NO4 and a molecular weight of 129.07 g/mol. Its IUPAC name is 4-hydroxypyrrolidine-2,3,5-trione.

Molecular Properties

Compound Name4-hydroxypyrrolidine-2,3,5-trione
PubChem CID23104087
Molecular FormulaC4H3NO4
Molecular Weight129.07 g/mol
Exact Mass129.01
IUPAC Name4-hydroxypyrrolidine-2,3,5-trione
SMILESO=C1NC(=O)C(O)C1=O
InChIInChI=1S/C4H3NO4/c6-1-2(7)4(9)5-3(1)8/h1,6H,(H,5,8,9)
InChIKeyOLGCGZGGNOFGNY-UHFFFAOYSA-N
XLogP-2.43
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.07
LogP ≤ 5-2.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione
CID 91446526
(3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione
CID 126575623
4-hydroxyazetidine-2,3-dione
CID 56621119
4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one
CID 61470172
5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 61361646
(5S)-5-hydroxyimidazolidine-2,4-dione
CID 40649061
(3Z)-3-ethylidene-4-methylpyrrolidine-2,5-dione
CID 71468111
(3S)-3-hydroxypyrrolidine-2,5-dione
CID 66575038
(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172
3-hydroxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
CID 175730735
3-azabicyclo[3.2.1]oct-1(7)-ene-2,4-dione
CID 54121372
(3R)-3-hydroxyazetidin-2-one
CID 97184618

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypyrrolidine-2,3,5-trione?
The IUPAC name of 4-hydroxypyrrolidine-2,3,5-trione (CID 23104087) is 4-hydroxypyrrolidine-2,3,5-trione.
What is the SMILES notation for 4-hydroxypyrrolidine-2,3,5-trione?
The canonical SMILES for 4-hydroxypyrrolidine-2,3,5-trione is O=C1NC(=O)C(O)C1=O.
What is the InChIKey of 4-hydroxypyrrolidine-2,3,5-trione?
The InChIKey is OLGCGZGGNOFGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO4/c6-1-2(7)4(9)5-3(1)8/h1,6H,(H,5,8,9).
What are the key properties of 4-hydroxypyrrolidine-2,3,5-trione?
4-hydroxypyrrolidine-2,3,5-trione has a molecular weight of 129.07 g/mol, XLogP of -2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypyrrolidine-2,3,5-trione is sourced from PubChem (CID 23104087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).