2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one

C12H17NO2 — CID 116708503

IUPAC2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one
SMILESCOC(C(=O)c1cncc(C)c1)C(C)C
InChIInChI=1S/C12H17NO2/c1-8(2)12(15-4)11(14)10-5-9(3)6-13-7-10/h5-8,12H,1-4H3
InChIKeyBRWVFUIHFOKXSN-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.24
Rot. Bonds4

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

2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one (PubChem CID 116708503) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one
PubChem CID116708503
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one
SMILESCOC(C(=O)c1cncc(C)c1)C(C)C
InChIInChI=1S/C12H17NO2/c1-8(2)12(15-4)11(14)10-5-9(3)6-13-7-10/h5-8,12H,1-4H3
InChIKeyBRWVFUIHFOKXSN-UHFFFAOYSA-N
XLogP2.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one
CID 116708326
2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone
CID 116750950
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
1-(3,5-difluorophenyl)-2-methoxy-3-methylbutan-1-one
CID 116708370
3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 103458369
ethyl 4-methoxy-2-(5-methylpyridine-3-carbonyl)-3-oxobutanoate
CID 57485968
3-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116606321
2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one
CID 59440305
(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone
CID 115374008
(5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone
CID 113297046
N-(1-iodo-3-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 107859937
2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 105085291

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one?
The IUPAC name of 2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one (CID 116708503) is 2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one.
What is the SMILES notation for 2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one?
The canonical SMILES for 2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one is COC(C(=O)c1cncc(C)c1)C(C)C.
What is the InChIKey of 2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one?
The InChIKey is BRWVFUIHFOKXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)12(15-4)11(14)10-5-9(3)6-13-7-10/h5-8,12H,1-4H3.
What are the key properties of 2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one?
2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one has a molecular weight of 207.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one is sourced from PubChem (CID 116708503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).