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

C8H7N3O2 — CID 78323764

IUPAC1-pyrimidin-2-ylpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ncccn1
InChIInChI=1S/C8H7N3O2/c12-6-2-3-7(13)11(6)8-9-4-1-5-10-8/h1,4-5H,2-3H2
InChIKeyYEEVOZHRRAHGLD-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.13
Rot. Bonds1

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

1-pyrimidin-2-ylpyrrolidine-2,5-dione (PubChem CID 78323764) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1-pyrimidin-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-pyrimidin-2-ylpyrrolidine-2,5-dione
PubChem CID78323764
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name1-pyrimidin-2-ylpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ncccn1
InChIInChI=1S/C8H7N3O2/c12-6-2-3-7(13)11(6)8-9-4-1-5-10-8/h1,4-5H,2-3H2
InChIKeyYEEVOZHRRAHGLD-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 50
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 1-pyrimidin-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-pyrimidin-2-ylpyrrolidine-2,5-dione (CID 78323764) is 1-pyrimidin-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-pyrimidin-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-pyrimidin-2-ylpyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ncccn1.
What is the InChIKey of 1-pyrimidin-2-ylpyrrolidine-2,5-dione?
The InChIKey is YEEVOZHRRAHGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-6-2-3-7(13)11(6)8-9-4-1-5-10-8/h1,4-5H,2-3H2.
What are the key properties of 1-pyrimidin-2-ylpyrrolidine-2,5-dione?
1-pyrimidin-2-ylpyrrolidine-2,5-dione has a molecular weight of 177.16 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 78323764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).