1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one

C11H15NO2 — CID 103451397

IUPAC1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
SMILESCCc1ccc(CC(=O)C(C)O)nc1
InChIInChI=1S/C11H15NO2/c1-3-9-4-5-10(12-7-9)6-11(14)8(2)13/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyQHUGDKWIGHFIMO-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.14
Rot. Bonds4

About 1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one

1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one (PubChem CID 103451397) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
PubChem CID103451397
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
SMILESCCc1ccc(CC(=O)C(C)O)nc1
InChIInChI=1S/C11H15NO2/c1-3-9-4-5-10(12-7-9)6-11(14)8(2)13/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyQHUGDKWIGHFIMO-UHFFFAOYSA-N
XLogP1.14
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
CID 116554816
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
5-amino-1-(5-ethyl-2-pyridinyl)hexan-2-one
CID 116571567
1-(5-ethyl-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-one
CID 79745251
1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol
CID 103456372
1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561045
3-(diethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
CID 79745096
1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
CID 116562736
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclopentyl)ethanone
CID 115786162
methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate
CID 79739459
3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
CID 116566003
2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 115786328

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one (CID 103451397) is 1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one is CCc1ccc(CC(=O)C(C)O)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one?
The InChIKey is QHUGDKWIGHFIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-9-4-5-10(12-7-9)6-11(14)8(2)13/h4-5,7-8,13H,3,6H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one?
1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one is sourced from PubChem (CID 103451397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).