1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one

C11H17NO2 — CID 82524548

IUPAC1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one
SMILESCCn1c(C(C)C)ccc(CO)c1=O
InChIInChI=1S/C11H17NO2/c1-4-12-10(8(2)3)6-5-9(7-13)11(12)14/h5-6,8,13H,4,7H2,1-3H3
InChIKeyCCFIWTVUZIZYLP-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.48
Rot. Bonds3

About 1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one

1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one (PubChem CID 82524548) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one
PubChem CID82524548
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one
SMILESCCn1c(C(C)C)ccc(CO)c1=O
InChIInChI=1S/C11H17NO2/c1-4-12-10(8(2)3)6-5-9(7-13)11(12)14/h5-6,8,13H,4,7H2,1-3H3
InChIKeyCCFIWTVUZIZYLP-UHFFFAOYSA-N
XLogP1.48
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid
CID 82524208
1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518280
1-ethyl-3-(hydroxymethyl)-6-[2-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82518634
1-ethyl-6-propan-2-yl-3-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
CID 82524513
6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82520319
1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524193
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259
2-[1-(2-methoxyethyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524085
3-(hydroxymethyl)-1-(2-methylpropyl)-6-(4-nitrophenyl)pyridin-2-one
CID 82516944
3-(bromomethyl)-1-butan-2-yl-6-propan-2-ylpyridin-2-one
CID 82524259
1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524343
2-[1-(3-methoxypropyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524044

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one?
The IUPAC name of 1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one (CID 82524548) is 1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one is CCn1c(C(C)C)ccc(CO)c1=O.
What is the InChIKey of 1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one?
The InChIKey is CCFIWTVUZIZYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-12-10(8(2)3)6-5-9(7-13)11(12)14/h5-6,8,13H,4,7H2,1-3H3.
What are the key properties of 1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one?
1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82524548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).