1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one

C12H15F3N2O — CID 103072410

IUPAC1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC=C(CNCC)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H15F3N2O/c1-3-16-6-9(2)7-17-8-10(12(13,14)15)4-5-11(17)18/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyUTELBRSDLBLZDB-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.03
Rot. Bonds5

About 1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 103072410) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID103072410
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC=C(CNCC)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H15F3N2O/c1-3-16-6-9(2)7-17-8-10(12(13,14)15)4-5-11(17)18/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyUTELBRSDLBLZDB-UHFFFAOYSA-N
XLogP2.03
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
CID 103072411
1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
CID 103072409
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide
CID 94177642
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one
CID 103071702
N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide
CID 17409636
N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 39613963
N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 110886586
N-[(2R)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277697
1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 7802597
1-(2-bromoethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279616

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one (CID 103072410) is 1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one is C=C(CNCC)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is UTELBRSDLBLZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-3-16-6-9(2)7-17-8-10(12(13,14)15)4-5-11(17)18/h4-5,8,16H,2-3,6-7H2,1H3.
What are the key properties of 1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 260.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 103072410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).