3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one

C11H11F3N2O2 — CID 19710959

IUPAC3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESNC1CCN(c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)18-8-3-1-2-7(6-8)16-5-4-9(15)10(16)17/h1-3,6,9H,4-5,15H2
InChIKeyPTBTWPGLOSJWMS-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.65
Rot. Bonds2

About 3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one

3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one (PubChem CID 19710959) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is 3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
PubChem CID19710959
Molecular FormulaC11H11F3N2O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESNC1CCN(c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)18-8-3-1-2-7(6-8)16-5-4-9(15)10(16)17/h1-3,6,9H,4-5,15H2
InChIKeyPTBTWPGLOSJWMS-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one (CID 19710959) is 3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one is NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O.
What is the InChIKey of 3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is PTBTWPGLOSJWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)18-8-3-1-2-7(6-8)16-5-4-9(15)10(16)17/h1-3,6,9H,4-5,15H2.
What are the key properties of 3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 260.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 19710959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).