6-butan-2-yl-1,4-dimethylpyridin-2-one

C11H17NO — CID 123488429

IUPAC6-butan-2-yl-1,4-dimethylpyridin-2-one
SMILESCCC(C)c1cc(C)cc(=O)n1C
InChIInChI=1S/C11H17NO/c1-5-9(3)10-6-8(2)7-11(13)12(10)4/h6-7,9H,5H2,1-4H3
InChIKeyQVVRLCNMHWCVMS-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.21
Rot. Bonds2

About 6-butan-2-yl-1,4-dimethylpyridin-2-one

6-butan-2-yl-1,4-dimethylpyridin-2-one (PubChem CID 123488429) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 6-butan-2-yl-1,4-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-butan-2-yl-1,4-dimethylpyridin-2-one
PubChem CID123488429
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name6-butan-2-yl-1,4-dimethylpyridin-2-one
SMILESCCC(C)c1cc(C)cc(=O)n1C
InChIInChI=1S/C11H17NO/c1-5-9(3)10-6-8(2)7-11(13)12(10)4/h6-7,9H,5H2,1-4H3
InChIKeyQVVRLCNMHWCVMS-UHFFFAOYSA-N
XLogP2.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6,7-dihydro-5H-indolizin-3-one
CID 122397881
1-ethyl-4,6-dimethyl-2(1H)-pyridone
CID 21538594
1-methyl-2,3-dihydro-1H-indolizin-5-one
CID 102163881
(6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one
CID 71032511
1,6-Dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 89458525
4-(1,1-Difluoroethyl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one
CID 145615182
3-But-3-en-2-yl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
CID 145615234
6-Fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one
CID 146498738
6-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 146569437
Ethane;1,3,6-trimethyl-4-(trifluoromethyl)pyridin-2-one
CID 153576822
3-(Difluoromethyl)-6-methyl-1,4-di(propan-2-yl)pyridin-2-one
CID 165398045
6-Methyl-1,4-di(propan-2-yl)-3-(trifluoromethyl)pyridin-2-one
CID 165398047

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1,4-dimethylpyridin-2-one?
The IUPAC name of 6-butan-2-yl-1,4-dimethylpyridin-2-one (CID 123488429) is 6-butan-2-yl-1,4-dimethylpyridin-2-one.
What is the SMILES notation for 6-butan-2-yl-1,4-dimethylpyridin-2-one?
The canonical SMILES for 6-butan-2-yl-1,4-dimethylpyridin-2-one is CCC(C)c1cc(C)cc(=O)n1C.
What is the InChIKey of 6-butan-2-yl-1,4-dimethylpyridin-2-one?
The InChIKey is QVVRLCNMHWCVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-9(3)10-6-8(2)7-11(13)12(10)4/h6-7,9H,5H2,1-4H3.
What are the key properties of 6-butan-2-yl-1,4-dimethylpyridin-2-one?
6-butan-2-yl-1,4-dimethylpyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1,4-dimethylpyridin-2-one is sourced from PubChem (CID 123488429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).