3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione

C8H6N2O5 — CID 151968120

IUPAC3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
SMILESO=C1C=C(N2C(=O)CC(O)C2=O)C(=O)N1
InChIInChI=1S/C8H6N2O5/c11-4-2-6(13)10(8(4)15)3-1-5(12)9-7(3)14/h1,4,11H,2H2,(H,9,12,14)
InChIKeyUACFZFBJPDHIFC-UHFFFAOYSA-N
MW210.14 g/mol
LogP-2.35
Rot. Bonds1

About 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione

3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione (PubChem CID 151968120) has the molecular formula C8H6N2O5 and a molecular weight of 210.14 g/mol. Its IUPAC name is 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
PubChem CID151968120
Molecular FormulaC8H6N2O5
Molecular Weight210.14 g/mol
Exact Mass210.03
IUPAC Name3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione
SMILESO=C1C=C(N2C(=O)CC(O)C2=O)C(=O)N1
InChIInChI=1S/C8H6N2O5/c11-4-2-6(13)10(8(4)15)3-1-5(12)9-7(3)14/h1,4,11H,2H2,(H,9,12,14)
InChIKeyUACFZFBJPDHIFC-UHFFFAOYSA-N
XLogP-2.35
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.14
LogP ≤ 5-2.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)benzoic acid
CID 67177212
1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid
CID 19876379
1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione
CID 19354480
3-(1-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione
CID 140561006
3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 68832075
3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 85230706
(3aR,7aR)-2-(4-fluorophenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 727818
2-(4-fluorophenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2860627
4-amino-2,6-dioxo-3H-pyridine-3-carboxamide
CID 73183367
(3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 1022325
(3aR,4R,7R,7aS)-2-(4-fluorophenyl)-4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 99721906
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 17020092

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione (CID 151968120) is 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione is O=C1C=C(N2C(=O)CC(O)C2=O)C(=O)N1.
What is the InChIKey of 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione?
The InChIKey is UACFZFBJPDHIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O5/c11-4-2-6(13)10(8(4)15)3-1-5(12)9-7(3)14/h1,4,11H,2H2,(H,9,12,14).
What are the key properties of 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione?
3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione has a molecular weight of 210.14 g/mol, XLogP of -2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 151968120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).