(4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C15H17F3N2O2S — CID 94021864

IUPAC(4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCC[C@H]2c2cccs2)CN1CC(F)(F)F
InChIInChI=1S/C15H17F3N2O2S/c16-15(17,18)9-19-8-10(7-13(19)21)14(22)20-5-1-3-11(20)12-4-2-6-23-12/h2,4,6,10-11H,1,3,5,7-9H2/t10-,11+/m1/s1
InChIKeyGDIFZERLDAVVBG-MNOVXSKESA-N
MW346.37 g/mol
LogP2.82
Rot. Bonds3

About (4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 94021864) has the molecular formula C15H17F3N2O2S and a molecular weight of 346.37 g/mol. Its IUPAC name is (4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID94021864
Molecular FormulaC15H17F3N2O2S
Molecular Weight346.37 g/mol
Exact Mass346.10
IUPAC Name(4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCC[C@H]2c2cccs2)CN1CC(F)(F)F
InChIInChI=1S/C15H17F3N2O2S/c16-15(17,18)9-19-8-10(7-13(19)21)14(22)20-5-1-3-11(20)12-4-2-6-23-12/h2,4,6,10-11H,1,3,5,7-9H2/t10-,11+/m1/s1
InChIKeyGDIFZERLDAVVBG-MNOVXSKESA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 94021864) is (4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1C[C@@H](C(=O)N2CCC[C@H]2c2cccs2)CN1CC(F)(F)F.
What is the InChIKey of (4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is GDIFZERLDAVVBG-MNOVXSKESA-N. The full InChI is InChI=1S/C15H17F3N2O2S/c16-15(17,18)9-19-8-10(7-13(19)21)14(22)20-5-1-3-11(20)12-4-2-6-23-12/h2,4,6,10-11H,1,3,5,7-9H2/t10-,11+/m1/s1.
What are the key properties of (4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 346.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 94021864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).