6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one

C17H17NO2 — CID 162158353

IUPAC6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one
SMILESCC#CCOc1ccc(-c2cccc(=O)n2CC)cc1
InChIInChI=1S/C17H17NO2/c1-3-5-13-20-15-11-9-14(10-12-15)16-7-6-8-17(19)18(16)4-2/h6-12H,4,13H2,1-2H3
InChIKeyCFLIJSMLTHYSMG-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.94
Rot. Bonds4

About 6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one

6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one (PubChem CID 162158353) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one
PubChem CID162158353
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one
SMILESCC#CCOc1ccc(-c2cccc(=O)n2CC)cc1
InChIInChI=1S/C17H17NO2/c1-3-5-13-20-15-11-9-14(10-12-15)16-7-6-8-17(19)18(16)4-2/h6-12H,4,13H2,1-2H3
InChIKeyCFLIJSMLTHYSMG-UHFFFAOYSA-N
XLogP2.94
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one?
The IUPAC name of 6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one (CID 162158353) is 6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one.
What is the SMILES notation for 6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one?
The canonical SMILES for 6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one is CC#CCOc1ccc(-c2cccc(=O)n2CC)cc1.
What is the InChIKey of 6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one?
The InChIKey is CFLIJSMLTHYSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-5-13-20-15-11-9-14(10-12-15)16-7-6-8-17(19)18(16)4-2/h6-12H,4,13H2,1-2H3.
What are the key properties of 6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one?
6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-but-2-ynoxyphenyl)-1-ethylpyridin-2-one is sourced from PubChem (CID 162158353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).