6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one

C17H17NO2 — CID 147258078

IUPAC6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one
SMILESCC#CCOc1ccc(-c2cccc(=O)n2C)c(C)c1
InChIInChI=1S/C17H17NO2/c1-4-5-11-20-14-9-10-15(13(2)12-14)16-7-6-8-17(19)18(16)3/h6-10,12H,11H2,1-3H3
InChIKeyGVPYPWLIKRQODK-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.76
Rot. Bonds3

About 6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one

6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one (PubChem CID 147258078) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one
PubChem CID147258078
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one
SMILESCC#CCOc1ccc(-c2cccc(=O)n2C)c(C)c1
InChIInChI=1S/C17H17NO2/c1-4-5-11-20-14-9-10-15(13(2)12-14)16-7-6-8-17(19)18(16)3/h6-10,12H,11H2,1-3H3
InChIKeyGVPYPWLIKRQODK-UHFFFAOYSA-N
XLogP2.76
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one
CID 118448854
6-(4-but-2-ynoxy-2-methylphenyl)-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451411
6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one
CID 162158353
2-[4-(5-bromo-1-methyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
CID 160578621
6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one
CID 159691735
1-but-2-ynoxy-3-methoxybenzene
CID 12759697
1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium
CID 146982885
3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
CID 159322458
2-(4-but-2-ynoxy-2-methylphenyl)-1-(2,2-difluoroethyl)-5-iodo-3H-pyridin-3-id-6-one;yttrium
CID 159380388
3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
CID 159666606
6-(4-methoxy-2-methylphenyl)-1,3-dimethylpyridin-2-one
CID 159172833
6-(4-but-2-ynoxy-2-methylphenyl)-1-(2,2-difluoroethyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451589

Frequently Asked Questions

What is the IUPAC name of 6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one?
The IUPAC name of 6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one (CID 147258078) is 6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one is CC#CCOc1ccc(-c2cccc(=O)n2C)c(C)c1.
What is the InChIKey of 6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one?
The InChIKey is GVPYPWLIKRQODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-4-5-11-20-14-9-10-15(13(2)12-14)16-7-6-8-17(19)18(16)3/h6-10,12H,11H2,1-3H3.
What are the key properties of 6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one?
6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-but-2-ynoxy-2-methylphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 147258078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).