1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one

C11H15NO2 — CID 82526094

IUPAC1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one
SMILESCc1cc(C)n(C2CC2)c(=O)c1CO
InChIInChI=1S/C11H15NO2/c1-7-5-8(2)12(9-3-4-9)11(14)10(7)6-13/h5,9,13H,3-4,6H2,1-2H3
InChIKeyFUWCSXOPFSPHFK-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.29
Rot. Bonds2

About 1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one

1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one (PubChem CID 82526094) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one
PubChem CID82526094
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one
SMILESCc1cc(C)n(C2CC2)c(=O)c1CO
InChIInChI=1S/C11H15NO2/c1-7-5-8(2)12(9-3-4-9)11(14)10(7)6-13/h5,9,13H,3-4,6H2,1-2H3
InChIKeyFUWCSXOPFSPHFK-UHFFFAOYSA-N
XLogP1.29
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one
CID 82525770
3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one
CID 82525716
1-cyclopropyl-4,6-dimethyl-3-(4-methylpiperidine-1-carbonyl)pyridin-2-one
CID 110849097
3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one
CID 82466701
N-(3-acetamidophenyl)-1-cyclopropyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 110861368
3-acetyl-1-cyclopropyl-6-methylpyridin-2-one
CID 82525165
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-3-methylbutan-1-one
CID 82493930
4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid
CID 82494297
ethyl 2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoacetate
CID 2321557
4-chloro-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butan-1-one
CID 105400949
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110880478
(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoic acid
CID 6235481

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one (CID 82526094) is 1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one is Cc1cc(C)n(C2CC2)c(=O)c1CO.
What is the InChIKey of 1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one?
The InChIKey is FUWCSXOPFSPHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-5-8(2)12(9-3-4-9)11(14)10(7)6-13/h5,9,13H,3-4,6H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one?
1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 82526094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).