1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

C12H13F3N2O3 — CID 111561298

IUPAC1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)N1CC[C@@H](O)C1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)9-2-1-4-17(11(9)20)7-10(19)16-5-3-8(18)6-16/h1-2,4,8,18H,3,5-7H2/t8-/m1/s1
InChIKeyHLVSMJPPHVQDRU-MRVPVSSYSA-N
MW290.24 g/mol
LogP0.46
Rot. Bonds2

About 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 111561298) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID111561298
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)N1CC[C@@H](O)C1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)9-2-1-4-17(11(9)20)7-10(19)16-5-3-8(18)6-16/h1-2,4,8,18H,3,5-7H2/t8-/m1/s1
InChIKeyHLVSMJPPHVQDRU-MRVPVSSYSA-N
XLogP0.46
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrolidine-3-carboxylic acid
CID 124700161
1-[2-[(3S,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 97096954
1-[2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 55956227
N-(4-hydroxycyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 110884955
1-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
CID 56812241
1-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 32694378
1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
CID 154833761
1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 97284050
tert-butyl 3-[[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]methyl]piperidine-1-carboxylate
CID 86877406
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 62917794
5-amino-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 94895192

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (CID 111561298) is 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is O=C(Cn1cccc(C(F)(F)F)c1=O)N1CC[C@@H](O)C1.
What is the InChIKey of 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is HLVSMJPPHVQDRU-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)9-2-1-4-17(11(9)20)7-10(19)16-5-3-8(18)6-16/h1-2,4,8,18H,3,5-7H2/t8-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 290.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 111561298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).