1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one

C14H19F3N2O — CID 103072411

IUPAC1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC=C(CNC(C)(C)C)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C14H19F3N2O/c1-10(7-18-13(2,3)4)8-19-9-11(14(15,16)17)5-6-12(19)20/h5-6,9,18H,1,7-8H2,2-4H3
InChIKeyZYCNRYPRRQQUBV-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.81
Rot. Bonds4

About 1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 103072411) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID103072411
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC=C(CNC(C)(C)C)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C14H19F3N2O/c1-10(7-18-13(2,3)4)8-19-9-11(14(15,16)17)5-6-12(19)20/h5-6,9,18H,1,7-8H2,2-4H3
InChIKeyZYCNRYPRRQQUBV-UHFFFAOYSA-N
XLogP2.81
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.81
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-(ethylaminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
CID 103072410
1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
CID 103072409
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 39613963
5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one
CID 103071702
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide
CID 94177642
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7633502
N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide
CID 17409636
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one (CID 103072411) is 1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one is C=C(CNC(C)(C)C)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZYCNRYPRRQQUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10(7-18-13(2,3)4)8-19-9-11(14(15,16)17)5-6-12(19)20/h5-6,9,18H,1,7-8H2,2-4H3.
What are the key properties of 1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 288.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 103072411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).