1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one

C13H15F3N2O — CID 72907484

IUPAC1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one
SMILESCc1cc(C(F)(F)F)cc(CCN2CCCC2=O)n1
InChIInChI=1S/C13H15F3N2O/c1-9-7-10(13(14,15)16)8-11(17-9)4-6-18-5-2-3-12(18)19/h7-8H,2-6H2,1H3
InChIKeyYROLEZWBRACWSH-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.57
Rot. Bonds3

About 1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one

1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one (PubChem CID 72907484) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one
PubChem CID72907484
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one
SMILESCc1cc(C(F)(F)F)cc(CCN2CCCC2=O)n1
InChIInChI=1S/C13H15F3N2O/c1-9-7-10(13(14,15)16)8-11(17-9)4-6-18-5-2-3-12(18)19/h7-8H,2-6H2,1H3
InChIKeyYROLEZWBRACWSH-UHFFFAOYSA-N
XLogP2.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one (CID 72907484) is 1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one is Cc1cc(C(F)(F)F)cc(CCN2CCCC2=O)n1.
What is the InChIKey of 1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one?
The InChIKey is YROLEZWBRACWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-9-7-10(13(14,15)16)8-11(17-9)4-6-18-5-2-3-12(18)19/h7-8H,2-6H2,1H3.
What are the key properties of 1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one?
1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one has a molecular weight of 272.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 72907484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).