1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one

C12H15F3N2O2 — CID 104747699

IUPAC1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNC(Cn1cc(C(F)(F)F)ccc1=O)C1CCOC1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)9-1-2-11(18)17(5-9)6-10(16)8-3-4-19-7-8/h1-2,5,8,10H,3-4,6-7,16H2
InChIKeyYQSPBRRJFOHIII-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.23
Rot. Bonds3

About 1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 104747699) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID104747699
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNC(Cn1cc(C(F)(F)F)ccc1=O)C1CCOC1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)9-1-2-11(18)17(5-9)6-10(16)8-3-4-19-7-8/h1-2,5,8,10H,3-4,6-7,16H2
InChIKeyYQSPBRRJFOHIII-UHFFFAOYSA-N
XLogP1.23
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 104747699) is 1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one is NC(Cn1cc(C(F)(F)F)ccc1=O)C1CCOC1.
What is the InChIKey of 1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is YQSPBRRJFOHIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)9-1-2-11(18)17(5-9)6-10(16)8-3-4-19-7-8/h1-2,5,8,10H,3-4,6-7,16H2.
What are the key properties of 1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 276.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 104747699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).