3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one

C9H8F3NO — CID 144581550

IUPAC3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESC=Cc1cc(C(F)(F)F)cn(C)c1=O
InChIInChI=1S/C9H8F3NO/c1-3-6-4-7(9(10,11)12)5-13(2)8(6)14/h3-5H,1H2,2H3
InChIKeyBHXHQXNZWREPNP-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.05
Rot. Bonds1

About 3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one

3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 144581550) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID144581550
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESC=Cc1cc(C(F)(F)F)cn(C)c1=O
InChIInChI=1S/C9H8F3NO/c1-3-6-4-7(9(10,11)12)5-13(2)8(6)14/h3-5H,1H2,2H3
InChIKeyBHXHQXNZWREPNP-UHFFFAOYSA-N
XLogP2.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one (CID 144581550) is 3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one is C=Cc1cc(C(F)(F)F)cn(C)c1=O.
What is the InChIKey of 3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is BHXHQXNZWREPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-3-6-4-7(9(10,11)12)5-13(2)8(6)14/h3-5H,1H2,2H3.
What are the key properties of 3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one?
3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 203.16 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-methyl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 144581550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).