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

C9H8N2O2 — CID 2737832

IUPAC1-pyridin-3-ylpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccnc1
InChIInChI=1S/C9H8N2O2/c12-8-3-4-9(13)11(8)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2
InChIKeyRYONIULDAJSXIO-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.74
Rot. Bonds1

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

1-pyridin-3-ylpyrrolidine-2,5-dione (PubChem CID 2737832) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-pyridin-3-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-pyridin-3-ylpyrrolidine-2,5-dione
PubChem CID2737832
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name1-pyridin-3-ylpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccnc1
InChIInChI=1S/C9H8N2O2/c12-8-3-4-9(13)11(8)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2
InChIKeyRYONIULDAJSXIO-UHFFFAOYSA-N
XLogP0.74
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-pyridin-3-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-pyridin-3-ylpyrrolidine-2,5-dione (CID 2737832) is 1-pyridin-3-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-pyridin-3-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-pyridin-3-ylpyrrolidine-2,5-dione is O=C1CCC(=O)N1c1cccnc1.
What is the InChIKey of 1-pyridin-3-ylpyrrolidine-2,5-dione?
The InChIKey is RYONIULDAJSXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-8-3-4-9(13)11(8)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2.
What are the key properties of 1-pyridin-3-ylpyrrolidine-2,5-dione?
1-pyridin-3-ylpyrrolidine-2,5-dione has a molecular weight of 176.18 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2737832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).