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

C11H15NO — CID 57063498

IUPAC2-methyl-1-pyridin-3-ylpentan-3-one
SMILESCCC(=O)C(C)Cc1cccnc1
InChIInChI=1S/C11H15NO/c1-3-11(13)9(2)7-10-5-4-6-12-8-10/h4-6,8-9H,3,7H2,1-2H3
InChIKeyLJGZFDFTMFWZJE-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.24
Rot. Bonds4

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

2-methyl-1-pyridin-3-ylpentan-3-one (PubChem CID 57063498) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-methyl-1-pyridin-3-ylpentan-3-one.

Molecular Properties

Compound Name2-methyl-1-pyridin-3-ylpentan-3-one
PubChem CID57063498
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-methyl-1-pyridin-3-ylpentan-3-one
SMILESCCC(=O)C(C)Cc1cccnc1
InChIInChI=1S/C11H15NO/c1-3-11(13)9(2)7-10-5-4-6-12-8-10/h4-6,8-9H,3,7H2,1-2H3
InChIKeyLJGZFDFTMFWZJE-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

2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one
CID 104845055
diethyl 2-(1-pyridin-3-ylpropan-2-yl)propanedioate
CID 67382967
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one
CID 71154587
4-methyl-1-pyridin-3-ylheptan-3-one
CID 107891307
1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665
4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one
CID 116565297
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
ethyl 2-fluoro-3-pyridin-3-ylpropanoate
CID 55265604
(4S)-2,2,5-trimethyl-4-(pyridin-3-ylmethyl)hexan-3-one
CID 58300260
1-(4-hydroxyphenyl)-2-methylpentan-3-one
CID 66598933

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyridin-3-ylpentan-3-one?
The IUPAC name of 2-methyl-1-pyridin-3-ylpentan-3-one (CID 57063498) is 2-methyl-1-pyridin-3-ylpentan-3-one.
What is the SMILES notation for 2-methyl-1-pyridin-3-ylpentan-3-one?
The canonical SMILES for 2-methyl-1-pyridin-3-ylpentan-3-one is CCC(=O)C(C)Cc1cccnc1.
What is the InChIKey of 2-methyl-1-pyridin-3-ylpentan-3-one?
The InChIKey is LJGZFDFTMFWZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-11(13)9(2)7-10-5-4-6-12-8-10/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of 2-methyl-1-pyridin-3-ylpentan-3-one?
2-methyl-1-pyridin-3-ylpentan-3-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 2-methyl-1-pyridin-3-ylpentan-3-one is sourced from PubChem (CID 57063498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).