2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one

C12H17NO2 — CID 103446963

IUPAC2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one
SMILESCCC(O)(CC)C(=O)c1cncc(C)c1
InChIInChI=1S/C12H17NO2/c1-4-12(15,5-2)11(14)10-6-9(3)7-13-8-10/h6-8,15H,4-5H2,1-3H3
InChIKeyHKIQVDGTMJVJRG-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.12
Rot. Bonds4

About 2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one

2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one (PubChem CID 103446963) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one
PubChem CID103446963
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one
SMILESCCC(O)(CC)C(=O)c1cncc(C)c1
InChIInChI=1S/C12H17NO2/c1-4-12(15,5-2)11(14)10-6-9(3)7-13-8-10/h6-8,15H,4-5H2,1-3H3
InChIKeyHKIQVDGTMJVJRG-UHFFFAOYSA-N
XLogP2.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one
CID 116610906
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-methylpyridine-3-carboxamide
CID 104629967
ethyl 3-(5-methyl-3-pyridinyl)-3-oxopropanoate
CID 142316844
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
1-(5-methyl-3-pyridinyl)pentan-1-one
CID 115374044
N-(1-chloro-2-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 114303886
2-acetyl-2-(5-methylpyridine-3-carbonyl)pentanedioic acid
CID 151928685
3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 103458369
4-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116571374
N-[2,2-dimethyl-3-[(5-methylpyridine-3-carbonyl)amino]propyl]-5-methylpyridine-3-carboxamide
CID 71994778
1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone
CID 115373986
3-chloropropyl 5-methylpyridine-3-carboxylate
CID 150660958

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one?
The IUPAC name of 2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one (CID 103446963) is 2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one.
What is the SMILES notation for 2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one?
The canonical SMILES for 2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one is CCC(O)(CC)C(=O)c1cncc(C)c1.
What is the InChIKey of 2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one?
The InChIKey is HKIQVDGTMJVJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-12(15,5-2)11(14)10-6-9(3)7-13-8-10/h6-8,15H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one?
2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one has a molecular weight of 207.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one is sourced from PubChem (CID 103446963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).