3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one

C14H15NO2S — CID 82516774

IUPAC3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one
SMILESCCCn1c(-c2cccs2)ccc(C(C)=O)c1=O
InChIInChI=1S/C14H15NO2S/c1-3-8-15-12(13-5-4-9-18-13)7-6-11(10(2)16)14(15)17/h4-7,9H,3,8H2,1-2H3
InChIKeyJVGUYJHTEMCBHI-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.19
Rot. Bonds4

About 3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one

3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one (PubChem CID 82516774) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one
PubChem CID82516774
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one
SMILESCCCn1c(-c2cccs2)ccc(C(C)=O)c1=O
InChIInChI=1S/C14H15NO2S/c1-3-8-15-12(13-5-4-9-18-13)7-6-11(10(2)16)14(15)17/h4-7,9H,3,8H2,1-2H3
InChIKeyJVGUYJHTEMCBHI-UHFFFAOYSA-N
XLogP3.19
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one
CID 82516662
1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
CID 82516554
1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82099867
(E)-3-(1-butyl-2-oxo-6-thiophen-2-yl-3-pyridinyl)prop-2-enoic acid
CID 82516717
2-(1-butyl-2-oxo-6-thiophen-2-yl-3-pyridinyl)acetonitrile
CID 82516724
3-(ethylaminomethyl)-1-(2-methoxyethyl)-6-thiophen-2-ylpyridin-2-one
CID 82516590
1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82516687
1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
CID 82516663
1,3-dipropyl-8-thiophen-2-yl-7H-purine-2,6-dione
CID 14795484
3-acetyl-6-methyl-1-nonylpyridin-2-one
CID 82064801
1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone
CID 66490371
1-prop-2-ynyl-2,5-dithiophen-2-ylpyrrole
CID 139190557

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one?
The IUPAC name of 3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one (CID 82516774) is 3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one is CCCn1c(-c2cccs2)ccc(C(C)=O)c1=O.
What is the InChIKey of 3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one?
The InChIKey is JVGUYJHTEMCBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-8-15-12(13-5-4-9-18-13)7-6-11(10(2)16)14(15)17/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one?
3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one has a molecular weight of 261.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one is sourced from PubChem (CID 82516774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).