1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one

C18H21F3N2O3 — CID 45174730

IUPAC1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)14-4-1-3-13(9-14)10-15-11-23(7-8-26-15)17(25)12-22-6-2-5-16(22)24/h1,3-4,9,15H,2,5-8,10-12H2
InChIKeyASKFPHFHPYWTPY-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one

1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 45174730) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID45174730
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)14-4-1-3-13(9-14)10-15-11-23(7-8-26-15)17(25)12-22-6-2-5-16(22)24/h1,3-4,9,15H,2,5-8,10-12H2
InChIKeyASKFPHFHPYWTPY-UHFFFAOYSA-N
XLogP2.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one (CID 45174730) is 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is ASKFPHFHPYWTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c19-18(20,21)14-4-1-3-13(9-14)10-15-11-23(7-8-26-15)17(25)12-22-6-2-5-16(22)24/h1,3-4,9,15H,2,5-8,10-12H2.
What are the key properties of 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 370.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45174730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).