1-(3-hydroxycyclobutyl)-2,6-dimethylpyridin-4-one

C11H15NO2 — CID 79885171

IUPAC1-(3-hydroxycyclobutyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C1CC(O)C1
InChIInChI=1S/C11H15NO2/c1-7-3-10(13)4-8(2)12(7)9-5-11(14)6-9/h3-4,9,11,14H,5-6H2,1-2H3
InChIKeyZIPQEQVXFLOBDI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.16
Rot. Bonds1

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

1-(3-hydroxycyclobutyl)-2,6-dimethylpyridin-4-one (PubChem CID 79885171) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(3-hydroxycyclobutyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(3-hydroxycyclobutyl)-2,6-dimethylpyridin-4-one
PubChem CID79885171
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(3-hydroxycyclobutyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C1CC(O)C1
InChIInChI=1S/C11H15NO2/c1-7-3-10(13)4-8(2)12(7)9-5-11(14)6-9/h3-4,9,11,14H,5-6H2,1-2H3
InChIKeyZIPQEQVXFLOBDI-UHFFFAOYSA-N
XLogP1.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
CID 54324327
1-(3,4-Dihydroxybutyl)-2-methylpyridin-4-one
CID 67805890
(Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
CID 88632177
(E)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
CID 20040039
1-(1-Hydroxypropan-2-yl)-2,6-dimethylpyridin-4-one
CID 79884590
1-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one
CID 79884967
1-[(3-Hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one
CID 79885172
1-(2,3-Dihydroxypropyl)-2,6-dimethylpyridin-4-one
CID 79885401
1-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpyridin-4-one
CID 79885496
1-(3-Hydroxybutyl)-2,6-dimethylpyridin-4-one
CID 79885691
1-(3-Hydroxy-2-methylpropyl)-2,6-dimethylpyridin-4-one
CID 79885793
1-(5-Hydroxypentan-2-yl)-2,6-dimethylpyridin-4-one
CID 80291479

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxycyclobutyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(3-hydroxycyclobutyl)-2,6-dimethylpyridin-4-one (CID 79885171) is 1-(3-hydroxycyclobutyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(3-hydroxycyclobutyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(3-hydroxycyclobutyl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1C1CC(O)C1.
What is the InChIKey of 1-(3-hydroxycyclobutyl)-2,6-dimethylpyridin-4-one?
The InChIKey is ZIPQEQVXFLOBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-3-10(13)4-8(2)12(7)9-5-11(14)6-9/h3-4,9,11,14H,5-6H2,1-2H3.
What are the key properties of 1-(3-hydroxycyclobutyl)-2,6-dimethylpyridin-4-one?
1-(3-hydroxycyclobutyl)-2,6-dimethylpyridin-4-one has a molecular weight of 193.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxycyclobutyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).