1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione

C12H11F3N2O3 — CID 131961023

IUPAC1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)8-1-2-9(18)16(7-8)5-6-17-10(19)3-4-11(17)20/h1-2,7H,3-6H2
InChIKeyNVPKKZGQXUIQMK-UHFFFAOYSA-N
MW288.22 g/mol
LogP1.02
Rot. Bonds3

About 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione

1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione (PubChem CID 131961023) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione
PubChem CID131961023
Molecular FormulaC12H11F3N2O3
Molecular Weight288.22 g/mol
Exact Mass288.07
IUPAC Name1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)8-1-2-9(18)16(7-8)5-6-17-10(19)3-4-11(17)20/h1-2,7H,3-6H2
InChIKeyNVPKKZGQXUIQMK-UHFFFAOYSA-N
XLogP1.02
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 51.02
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-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione (CID 131961023) is 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is NVPKKZGQXUIQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c13-12(14,15)8-1-2-9(18)16(7-8)5-6-17-10(19)3-4-11(17)20/h1-2,7H,3-6H2.
What are the key properties of 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione?
1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 288.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 131961023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).