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

C11H15NO2 — CID 20716424

IUPAC3-hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one
SMILESCC(=O)C(C)(O)C(C)c1ccncc1
InChIInChI=1S/C11H15NO2/c1-8(11(3,14)9(2)13)10-4-6-12-7-5-10/h4-8,14H,1-3H3
InChIKeyMXWXKUMLKLWMNH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.53
Rot. Bonds3

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

3-hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one (PubChem CID 20716424) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one
PubChem CID20716424
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one
SMILESCC(=O)C(C)(O)C(C)c1ccncc1
InChIInChI=1S/C11H15NO2/c1-8(11(3,14)9(2)13)10-4-6-12-7-5-10/h4-8,14H,1-3H3
InChIKeyMXWXKUMLKLWMNH-UHFFFAOYSA-N
XLogP1.53
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Sulcatin
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4-Pyridineacetic acid
CID 34228
2-Isopropenyl-7-phenyl-7-pyridin-3-yl-hept-6-enoic acid
CID 13417325
(Z)-4,4-difluoro-1-hydroxy-1-pyridin-3-yloct-1-en-3-one
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4-Pyridinylacetone
CID 80552
2-(Pyridin-3-yl)propan-2-ol
CID 10725403
(Z)-7-Pyridin-3-yl-oct-6-enoic acid
CID 13417280
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CID 44330682

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one?
The IUPAC name of 3-hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one (CID 20716424) is 3-hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one.
What is the SMILES notation for 3-hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one?
The canonical SMILES for 3-hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one is CC(=O)C(C)(O)C(C)c1ccncc1.
What is the InChIKey of 3-hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one?
The InChIKey is MXWXKUMLKLWMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(11(3,14)9(2)13)10-4-6-12-7-5-10/h4-8,14H,1-3H3.
What are the key properties of 3-hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one?
3-hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-pyridin-4-ylpentan-2-one is sourced from PubChem (CID 20716424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).