1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

C11H13F3N2O — CID 81318802

IUPAC1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESC=CCNCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H13F3N2O/c1-2-6-15-7-8-16-9(11(12,13)14)4-3-5-10(16)17/h2-5,15H,1,6-8H2
InChIKeyAJXYYHXTJHZBPX-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.64
Rot. Bonds5

About 1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81318802) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81318802
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESC=CCNCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H13F3N2O/c1-2-6-15-7-8-16-9(11(12,13)14)4-3-5-10(16)17/h2-5,15H,1,6-8H2
InChIKeyAJXYYHXTJHZBPX-UHFFFAOYSA-N
XLogP1.64
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81318802) is 1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is C=CCNCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is AJXYYHXTJHZBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-2-6-15-7-8-16-9(11(12,13)14)4-3-5-10(16)17/h2-5,15H,1,6-8H2.
What are the key properties of 1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 246.23 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81318802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).