3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one

C15H19NO2S — CID 82516662

IUPAC3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one
SMILESCCCCCn1c(-c2cccs2)ccc(CO)c1=O
InChIInChI=1S/C15H19NO2S/c1-2-3-4-9-16-13(14-6-5-10-19-14)8-7-12(11-17)15(16)18/h5-8,10,17H,2-4,9,11H2,1H3
InChIKeyJMRODTAWCBNHIA-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.26
Rot. Bonds6

About 3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one

3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one (PubChem CID 82516662) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one
PubChem CID82516662
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one
SMILESCCCCCn1c(-c2cccs2)ccc(CO)c1=O
InChIInChI=1S/C15H19NO2S/c1-2-3-4-9-16-13(14-6-5-10-19-14)8-7-12(11-17)15(16)18/h5-8,10,17H,2-4,9,11H2,1H3
InChIKeyJMRODTAWCBNHIA-UHFFFAOYSA-N
XLogP3.26
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-butyl-2-oxo-6-thiophen-2-yl-3-pyridinyl)acetonitrile
CID 82516724
3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
CID 82521098
(E)-3-(1-butyl-2-oxo-6-thiophen-2-yl-3-pyridinyl)prop-2-enoic acid
CID 82516717
3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one
CID 82516774
6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one
CID 82520519
3-(ethylaminomethyl)-1-(2-methoxyethyl)-6-thiophen-2-ylpyridin-2-one
CID 82516590
1,5-didodecyl-3,7-dithiophen-2-yl-1,5-naphthyridine-2,6-dione
CID 167583520
1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82520240
1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
CID 82516554
4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one
CID 82446954
3-(2,5-dithiophen-2-ylpyrrol-1-yl)propylphosphonic acid
CID 68763160
1-octyl-3,4-dithiophen-2-ylpyrrole-2,5-dione
CID 132937304

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one?
The IUPAC name of 3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one (CID 82516662) is 3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one is CCCCCn1c(-c2cccs2)ccc(CO)c1=O.
What is the InChIKey of 3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one?
The InChIKey is JMRODTAWCBNHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-2-3-4-9-16-13(14-6-5-10-19-14)8-7-12(11-17)15(16)18/h5-8,10,17H,2-4,9,11H2,1H3.
What are the key properties of 3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one?
3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one has a molecular weight of 277.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one is sourced from PubChem (CID 82516662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).