2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one

C11H15NO2 — CID 103446599

IUPAC2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
SMILESCCC(C)(O)C(=O)c1cnccc1C
InChIInChI=1S/C11H15NO2/c1-4-11(3,14)10(13)9-7-12-6-5-8(9)2/h5-7,14H,4H2,1-3H3
InChIKeyQMYWNAZGRFRDCN-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.73
Rot. Bonds3

About 2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one

2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one (PubChem CID 103446599) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
PubChem CID103446599
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
SMILESCCC(C)(O)C(=O)c1cnccc1C
InChIInChI=1S/C11H15NO2/c1-4-11(3,14)10(13)9-7-12-6-5-8(9)2/h5-7,14H,4H2,1-3H3
InChIKeyQMYWNAZGRFRDCN-UHFFFAOYSA-N
XLogP1.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116603939
2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 130562265
2-methyl-1-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-ylbutan-1-one
CID 79069628
2-methoxy-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 79196818
2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one
CID 79045680
2-(4-methyl-3-pyridinyl)butan-2-ol
CID 66273296
4-methylpyridine-3-carbonyl chloride
CID 22386188
1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one
CID 103446715
N-(2-amino-2-methylpropyl)-4-methylpyridine-3-carboxamide
CID 110833937
2-hydroxy-2-methyl-1-pyrimidin-5-ylbutan-1-one
CID 103446634
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
N-(1-chloro-2-methylpropan-2-yl)-4-methylpyridine-3-carboxamide
CID 164655174

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one (CID 103446599) is 2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one is CCC(C)(O)C(=O)c1cnccc1C.
What is the InChIKey of 2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one?
The InChIKey is QMYWNAZGRFRDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-11(3,14)10(13)9-7-12-6-5-8(9)2/h5-7,14H,4H2,1-3H3.
What are the key properties of 2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one?
2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one is sourced from PubChem (CID 103446599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).