3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one

C11H15NO2 — CID 143714736

IUPAC3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one
SMILESCC(=O)C(C)(C)Oc1cccnc1C
InChIInChI=1S/C11H15NO2/c1-8-10(6-5-7-12-8)14-11(3,4)9(2)13/h5-7H,1-4H3
InChIKeyKYALZXNOPWBJPT-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.14
Rot. Bonds3

About 3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one

3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one (PubChem CID 143714736) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one.

Molecular Properties

Compound Name3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one
PubChem CID143714736
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one
SMILESCC(=O)C(C)(C)Oc1cccnc1C
InChIInChI=1S/C11H15NO2/c1-8-10(6-5-7-12-8)14-11(3,4)9(2)13/h5-7H,1-4H3
InChIKeyKYALZXNOPWBJPT-UHFFFAOYSA-N
XLogP2.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane
CID 143321750
acetic acid;3-fluoro-2-methylpyridine
CID 175599570
(2-methyl-3-pyridinyl) methanesulfonate
CID 119084020
2-methyl-1-[(2-methyl-3-pyridinyl)oxy]butan-2-ol
CID 114496106
(2-methyl-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 105094746
2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one
CID 20585684
4-amino-3-[(2-methyl-3-pyridinyl)oxy]benzoic acid
CID 82795845
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 81439910
ethane;2-methyl-3-propan-2-yloxypyridine
CID 169127278
2-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine
CID 138743961
2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid
CID 71246278

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one?
The IUPAC name of 3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one (CID 143714736) is 3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one.
What is the SMILES notation for 3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one?
The canonical SMILES for 3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one is CC(=O)C(C)(C)Oc1cccnc1C.
What is the InChIKey of 3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one?
The InChIKey is KYALZXNOPWBJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-10(6-5-7-12-8)14-11(3,4)9(2)13/h5-7H,1-4H3.
What are the key properties of 3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one?
3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one has a molecular weight of 193.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one is sourced from PubChem (CID 143714736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).