5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid

C10H9F3N2O3 — CID 141269495

IUPAC5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]c(N2CCCC2=O)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)5-4-6(14-8(5)9(17)18)15-3-1-2-7(15)16/h4,14H,1-3H2,(H,17,18)
InChIKeyJLYRZNDDHOCOJA-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.86
Rot. Bonds2

About 5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid

5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 141269495) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is 5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid
PubChem CID141269495
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]c(N2CCCC2=O)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)5-4-6(14-8(5)9(17)18)15-3-1-2-7(15)16/h4,14H,1-3H2,(H,17,18)
InChIKeyJLYRZNDDHOCOJA-UHFFFAOYSA-N
XLogP1.86
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 166609152
1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 166609128
5-bromo-2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid
CID 91589130
1-[2-[2,5-dideuterio-4-[2-(2-oxopyrrolidin-1-yl)phenyl]-3,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyrrolidin-2-one
CID 176589252
4-(2-oxopyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 93174619
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
2-hydroxy-4-(2-oxopyrrolidin-1-yl)benzoic acid
CID 5210283
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 75486712
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
4-[4-carboxy-2,6-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzoic acid
CID 59002552
3-amino-4-(2-oxopiperidin-1-yl)benzoic acid
CID 63117149

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid (CID 141269495) is 5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1[nH]c(N2CCCC2=O)cc1C(F)(F)F.
What is the InChIKey of 5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is JLYRZNDDHOCOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c11-10(12,13)5-4-6(14-8(5)9(17)18)15-3-1-2-7(15)16/h4,14H,1-3H2,(H,17,18).
What are the key properties of 5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid?
5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 262.19 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 141269495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).