1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione

C11H12N2O2 — CID 571854

IUPAC1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCc1ccccn1
InChIInChI=1S/C11H12N2O2/c14-10-4-5-11(15)13(10)8-6-9-3-1-2-7-12-9/h1-3,7H,4-6,8H2
InChIKeyISEBLFYEUIDKGF-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.77
Rot. Bonds3

About 1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione

1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione (PubChem CID 571854) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
PubChem CID571854
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCc1ccccn1
InChIInChI=1S/C11H12N2O2/c14-10-4-5-11(15)13(10)8-6-9-3-1-2-7-12-9/h1-3,7H,4-6,8H2
InChIKeyISEBLFYEUIDKGF-UHFFFAOYSA-N
XLogP0.77
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.77
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-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione (CID 571854) is 1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCc1ccccn1.
What is the InChIKey of 1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione?
The InChIKey is ISEBLFYEUIDKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-10-4-5-11(15)13(10)8-6-9-3-1-2-7-12-9/h1-3,7H,4-6,8H2.
What are the key properties of 1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione?
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione has a molecular weight of 204.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 571854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).