1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one

C12H13F3N2O2 — CID 8894181

IUPAC1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCCC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-3-4-10(18)17(7-9)8-11(19)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2
InChIKeyLYRAEPCKTRBPCE-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.49
Rot. Bonds2

About 1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one

1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 8894181) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID8894181
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCCC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-3-4-10(18)17(7-9)8-11(19)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2
InChIKeyLYRAEPCKTRBPCE-UHFFFAOYSA-N
XLogP1.49
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
N-(cyclopenten-1-yl)-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 8894038
1-methyl-4-({methyl[2-oxo-2-(1-pyrrolidinyl)ethyl]amino}methyl)-2(1H)-pyridinone
CID 53191779
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide
CID 9119798
1-(2-Oxopropyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 60643006
5-[2-(3,3-Difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one
CID 146182805
1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one
CID 155374676
1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one
CID 176690698
2-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623762
2-[[2-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide
CID 8215906
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propylacetamide
CID 16340830
N,N-dimethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 17431957

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one (CID 8894181) is 1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one is O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCCC1.
What is the InChIKey of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is LYRAEPCKTRBPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)9-3-4-10(18)17(7-9)8-11(19)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 274.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 8894181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).