5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one

C11H10F3NO2 — CID 174310917

IUPAC5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESC=Cc1cc(C(=C)O)c(=O)n(CC(F)(F)F)c1
InChIInChI=1S/C11H10F3NO2/c1-3-8-4-9(7(2)16)10(17)15(5-8)6-11(12,13)14/h3-5,16H,1-2,6H2
InChIKeyQJVXXSGHYBBTLM-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.58
Rot. Bonds3

About 5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one

5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 174310917) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID174310917
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESC=Cc1cc(C(=C)O)c(=O)n(CC(F)(F)F)c1
InChIInChI=1S/C11H10F3NO2/c1-3-8-4-9(7(2)16)10(17)15(5-8)6-11(12,13)14/h3-5,16H,1-2,6H2
InChIKeyQJVXXSGHYBBTLM-UHFFFAOYSA-N
XLogP2.58
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 174310917) is 5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one is C=Cc1cc(C(=C)O)c(=O)n(CC(F)(F)F)c1.
What is the InChIKey of 5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is QJVXXSGHYBBTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-3-8-4-9(7(2)16)10(17)15(5-8)6-11(12,13)14/h3-5,16H,1-2,6H2.
What are the key properties of 5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 245.20 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-(1-hydroxyethenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 174310917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).