3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C12H13F3N2O3 — CID 62371328

IUPAC3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC(CO)C1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)9-2-1-8(10(19)16-9)11(20)17-4-3-7(5-17)6-18/h1-2,7,18H,3-6H2,(H,16,19)
InChIKeyFMRVLUDLBXIYNN-UHFFFAOYSA-N
MW290.24 g/mol
LogP0.85
Rot. Bonds2

About 3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 62371328) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID62371328
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC(CO)C1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)9-2-1-8(10(19)16-9)11(20)17-4-3-7(5-17)6-18/h1-2,7,18H,3-6H2,(H,16,19)
InChIKeyFMRVLUDLBXIYNN-UHFFFAOYSA-N
XLogP0.85
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 62371328) is 3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC(CO)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is FMRVLUDLBXIYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)9-2-1-8(10(19)16-9)11(20)17-4-3-7(5-17)6-18/h1-2,7,18H,3-6H2,(H,16,19).
What are the key properties of 3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 290.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 62371328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).