4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one

C11H12F3N3O — CID 168700339

IUPAC4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(Cc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)7-1-2-9(16-4-7)6-17-5-8(15)3-10(17)18/h1-2,4,8H,3,5-6,15H2
InChIKeyJWXQYURIBKRHDT-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.16
Rot. Bonds2

About 4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one

4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 168700339) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID168700339
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(Cc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)7-1-2-9(16-4-7)6-17-5-8(15)3-10(17)18/h1-2,4,8H,3,5-6,15H2
InChIKeyJWXQYURIBKRHDT-UHFFFAOYSA-N
XLogP1.16
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one (CID 168700339) is 4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one is NC1CC(=O)N(Cc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is JWXQYURIBKRHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c12-11(13,14)7-1-2-9(16-4-7)6-17-5-8(15)3-10(17)18/h1-2,4,8H,3,5-6,15H2.
What are the key properties of 4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 259.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 168700339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).