1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C16H19F3N2O3 — CID 72936516

IUPAC1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@@]1(O)C1CC1
InChIInChI=1S/C16H19F3N2O3/c1-10-6-21(9-15(10,24)11-2-3-11)14(23)8-20-7-12(16(17,18)19)4-5-13(20)22/h4-5,7,10-11,24H,2-3,6,8-9H2,1H3/t10-,15+/m1/s1
InChIKeyFZIQHBCKAAFZQC-BMIGLBTASA-N
MW344.33 g/mol
LogP1.49
Rot. Bonds3

About 1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 72936516) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID72936516
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@@]1(O)C1CC1
InChIInChI=1S/C16H19F3N2O3/c1-10-6-21(9-15(10,24)11-2-3-11)14(23)8-20-7-12(16(17,18)19)4-5-13(20)22/h4-5,7,10-11,24H,2-3,6,8-9H2,1H3/t10-,15+/m1/s1
InChIKeyFZIQHBCKAAFZQC-BMIGLBTASA-N
XLogP1.49
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 72936516) is 1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is C[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@@]1(O)C1CC1.
What is the InChIKey of 1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is FZIQHBCKAAFZQC-BMIGLBTASA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-10-6-21(9-15(10,24)11-2-3-11)14(23)8-20-7-12(16(17,18)19)4-5-13(20)22/h4-5,7,10-11,24H,2-3,6,8-9H2,1H3/t10-,15+/m1/s1.
What are the key properties of 1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 344.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72936516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).