1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione

C8H7N3O3 — CID 77050665

IUPAC1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ncc(O)cn1
InChIInChI=1S/C8H7N3O3/c12-5-3-9-8(10-4-5)11-6(13)1-2-7(11)14/h3-4,12H,1-2H2
InChIKeyVQDCTWWIJIFNBA-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.16
Rot. Bonds1

About 1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione

1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione (PubChem CID 77050665) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione
PubChem CID77050665
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ncc(O)cn1
InChIInChI=1S/C8H7N3O3/c12-5-3-9-8(10-4-5)11-6(13)1-2-7(11)14/h3-4,12H,1-2H2
InChIKeyVQDCTWWIJIFNBA-UHFFFAOYSA-N
XLogP-0.16
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione (CID 77050665) is 1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ncc(O)cn1.
What is the InChIKey of 1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione?
The InChIKey is VQDCTWWIJIFNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c12-5-3-9-8(10-4-5)11-6(13)1-2-7(11)14/h3-4,12H,1-2H2.
What are the key properties of 1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione?
1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione has a molecular weight of 193.16 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypyrimidin-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 77050665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).