1-(5-methyl-3-pyridinyl)pentan-1-one

C11H15NO — CID 115374044

IUPAC1-(5-methyl-3-pyridinyl)pentan-1-one
SMILESCCCCC(=O)c1cncc(C)c1
InChIInChI=1S/C11H15NO/c1-3-4-5-11(13)10-6-9(2)7-12-8-10/h6-8H,3-5H2,1-2H3
InChIKeyCXWHZHCLMALTNQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.76
Rot. Bonds4

About 1-(5-methyl-3-pyridinyl)pentan-1-one

1-(5-methyl-3-pyridinyl)pentan-1-one (PubChem CID 115374044) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)pentan-1-one.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)pentan-1-one
PubChem CID115374044
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(5-methyl-3-pyridinyl)pentan-1-one
SMILESCCCCC(=O)c1cncc(C)c1
InChIInChI=1S/C11H15NO/c1-3-4-5-11(13)10-6-9(2)7-12-8-10/h6-8H,3-5H2,1-2H3
InChIKeyCXWHZHCLMALTNQ-UHFFFAOYSA-N
XLogP2.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-methyl-3-pyridinyl)pentan-1-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

1-(5-propan-2-yl-3-pyridinyl)pentan-1-one
CID 159567241
1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one
CID 105093184
4-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116571374
4-(5-methyl-3-pyridinyl)-4-oxobutanenitrile
CID 20522392
1-(5-methyl-3-pyridinyl)-2-propylsulfanylethanone
CID 115373986
1-(5-fluoro-3-pyridinyl)undecan-1-one
CID 105091475
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373939
ethyl 3-(5-methyl-3-pyridinyl)-3-oxopropanoate
CID 142316844
1-pyridin-3-ylpentan-1-one
CID 12648543
1-(5-ethoxy-3-pyridinyl)heptan-1-one
CID 115793819
1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one
CID 115373880
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)pentan-1-one?
The IUPAC name of 1-(5-methyl-3-pyridinyl)pentan-1-one (CID 115374044) is 1-(5-methyl-3-pyridinyl)pentan-1-one.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)pentan-1-one?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)pentan-1-one is CCCCC(=O)c1cncc(C)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)pentan-1-one?
The InChIKey is CXWHZHCLMALTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-4-5-11(13)10-6-9(2)7-12-8-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)pentan-1-one?
1-(5-methyl-3-pyridinyl)pentan-1-one has a molecular weight of 177.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)pentan-1-one is sourced from PubChem (CID 115374044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).