1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one

C11H13F3N2O — CID 95386384

IUPAC1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1C[C@H]1CCCN1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-3-4-10(17)16(6-8)7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2/t9-/m1/s1
InChIKeyZEMNJQVYBDZZCL-SECBINFHSA-N
MW246.23 g/mol
LogP1.62
Rot. Bonds2

About 1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one

1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 95386384) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID95386384
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1C[C@H]1CCCN1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-3-4-10(17)16(6-8)7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2/t9-/m1/s1
InChIKeyZEMNJQVYBDZZCL-SECBINFHSA-N
XLogP1.62
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
CID 102819741
3-(pyrrolidin-2-ylmethyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262841
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
3-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208817
1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63280381
1-(2-bromoethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279616
3-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262139
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280128
1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one
CID 102819783
5-fluoro-1-(2-piperidin-2-ylethyl)pyridin-2-one
CID 82147333
5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66423367

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one (CID 95386384) is 1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1C[C@H]1CCCN1.
What is the InChIKey of 1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZEMNJQVYBDZZCL-SECBINFHSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)8-3-4-10(17)16(6-8)7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2/t9-/m1/s1.
What are the key properties of 1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 246.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 95386384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).