1-pyrimidin-5-ylpyrrolidine-2,3-dione

C8H7N3O2 — CID 107588849

IUPAC1-pyrimidin-5-ylpyrrolidine-2,3-dione
SMILESO=C1CCN(c2cncnc2)C1=O
InChIInChI=1S/C8H7N3O2/c12-7-1-2-11(8(7)13)6-3-9-5-10-4-6/h3-5H,1-2H2
InChIKeyZOHBFXHFMADXOF-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.22
Rot. Bonds1

About 1-pyrimidin-5-ylpyrrolidine-2,3-dione

1-pyrimidin-5-ylpyrrolidine-2,3-dione (PubChem CID 107588849) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1-pyrimidin-5-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-pyrimidin-5-ylpyrrolidine-2,3-dione
PubChem CID107588849
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name1-pyrimidin-5-ylpyrrolidine-2,3-dione
SMILESO=C1CCN(c2cncnc2)C1=O
InChIInChI=1S/C8H7N3O2/c12-7-1-2-11(8(7)13)6-3-9-5-10-4-6/h3-5H,1-2H2
InChIKeyZOHBFXHFMADXOF-UHFFFAOYSA-N
XLogP-0.22
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-5-ylpyrrolidine-2,3-dione?
The IUPAC name of 1-pyrimidin-5-ylpyrrolidine-2,3-dione (CID 107588849) is 1-pyrimidin-5-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 1-pyrimidin-5-ylpyrrolidine-2,3-dione?
The canonical SMILES for 1-pyrimidin-5-ylpyrrolidine-2,3-dione is O=C1CCN(c2cncnc2)C1=O.
What is the InChIKey of 1-pyrimidin-5-ylpyrrolidine-2,3-dione?
The InChIKey is ZOHBFXHFMADXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-7-1-2-11(8(7)13)6-3-9-5-10-4-6/h3-5H,1-2H2.
What are the key properties of 1-pyrimidin-5-ylpyrrolidine-2,3-dione?
1-pyrimidin-5-ylpyrrolidine-2,3-dione has a molecular weight of 177.16 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-5-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 107588849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).