1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

C17H17F2NO2 — CID 142275063

IUPAC1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESC=CCCn1c(C)cc(OCc2ccc(F)cc2F)cc1=O
InChIInChI=1S/C17H17F2NO2/c1-3-4-7-20-12(2)8-15(10-17(20)21)22-11-13-5-6-14(18)9-16(13)19/h3,5-6,8-10H,1,4,7,11H2,2H3
InChIKeyDUAWIKPDMNMGLH-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.59
Rot. Bonds6

About 1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (PubChem CID 142275063) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
PubChem CID142275063
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESC=CCCn1c(C)cc(OCc2ccc(F)cc2F)cc1=O
InChIInChI=1S/C17H17F2NO2/c1-3-4-7-20-12(2)8-15(10-17(20)21)22-11-13-5-6-14(18)9-16(13)19/h3,5-6,8-10H,1,4,7,11H2,2H3
InChIKeyDUAWIKPDMNMGLH-UHFFFAOYSA-N
XLogP3.59
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-(2,4-difluorobenzyloxy)-1-(4-((dimethylamino)methyl)benzyl)-6-methylpyridin-2(1H)-one
CID 22050722
3-bromo-4-(2,4-difluorobenzyloxy)-1-(3-((dimethylamino)methyl)benzyl)-6-methylpyridin-2(1H)-one
CID 22050741
1-(4-((ethyl(propyl)amino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487284
4-(4-fluorobenzyloxy)-1-(4-((methyl(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487309
4-(4-fluorobenzyloxy)-1-(4-(((2-fluoroethyl)(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487356
1-(4-((diethylamino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487382
1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
CID 10193032
1-benzyl-4-(benzyloxy)-3-methylpyridin-2(1H)-one
CID 10193155
4-(4-Fluorobenzyloxy)-1h-pyridin-2-one
CID 22049900
1-(3-Methylbutyl)-2-oxo-4-phenylmethoxypyridine-3-carbonitrile
CID 118714734
4-[(2,4-Difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 122178642
4-[(2,4-Difluorophenyl)methoxy]-6-methyl-1-[(4-phenylphenyl)methyl]pyridin-2-one
CID 122178645

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The IUPAC name of 1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (CID 142275063) is 1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The canonical SMILES for 1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is C=CCCn1c(C)cc(OCc2ccc(F)cc2F)cc1=O.
What is the InChIKey of 1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The InChIKey is DUAWIKPDMNMGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-3-4-7-20-12(2)8-15(10-17(20)21)22-11-13-5-6-14(18)9-16(13)19/h3,5-6,8-10H,1,4,7,11H2,2H3.
What are the key properties of 1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 305.32 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 142275063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).