4-methyl-1-pyridin-3-ylpentan-2-one

C11H15NO — CID 12999593

IUPAC4-methyl-1-pyridin-3-ylpentan-2-one
SMILESCC(C)CC(=O)Cc1cccnc1
InChIInChI=1S/C11H15NO/c1-9(2)6-11(13)7-10-4-3-5-12-8-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyMPEPBGNBWSYNRW-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.24
Rot. Bonds4

About 4-methyl-1-pyridin-3-ylpentan-2-one

4-methyl-1-pyridin-3-ylpentan-2-one (PubChem CID 12999593) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-methyl-1-pyridin-3-ylpentan-2-one.

Molecular Properties

Compound Name4-methyl-1-pyridin-3-ylpentan-2-one
PubChem CID12999593
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-methyl-1-pyridin-3-ylpentan-2-one
SMILESCC(C)CC(=O)Cc1cccnc1
InChIInChI=1S/C11H15NO/c1-9(2)6-11(13)7-10-4-3-5-12-8-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyMPEPBGNBWSYNRW-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-methyl-1-pyrimidin-5-ylpentan-2-one
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4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one
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1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
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5-methyl-1-pyridin-3-ylheptan-3-one
CID 105091617
1-pyridin-3-ylpent-4-yn-2-one
CID 62551536
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
5-methyl-1-pyridin-3-ylhex-5-en-2-one
CID 114473524
5-hydroxy-1-pyridin-3-ylpentan-2-one
CID 106677611
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
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1-pyridin-3-yldecan-2-one
CID 62621024

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyridin-3-ylpentan-2-one?
The IUPAC name of 4-methyl-1-pyridin-3-ylpentan-2-one (CID 12999593) is 4-methyl-1-pyridin-3-ylpentan-2-one.
What is the SMILES notation for 4-methyl-1-pyridin-3-ylpentan-2-one?
The canonical SMILES for 4-methyl-1-pyridin-3-ylpentan-2-one is CC(C)CC(=O)Cc1cccnc1.
What is the InChIKey of 4-methyl-1-pyridin-3-ylpentan-2-one?
The InChIKey is MPEPBGNBWSYNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(2)6-11(13)7-10-4-3-5-12-8-10/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 4-methyl-1-pyridin-3-ylpentan-2-one?
4-methyl-1-pyridin-3-ylpentan-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyridin-3-ylpentan-2-one is sourced from PubChem (CID 12999593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).