4-ethoxy-1-pyridin-3-ylbutan-2-one

C11H15NO2 — CID 94504995

IUPAC4-ethoxy-1-pyridin-3-ylbutan-2-one
SMILESCCOCCC(=O)Cc1cccnc1
InChIInChI=1S/C11H15NO2/c1-2-14-7-5-11(13)8-10-4-3-6-12-9-10/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyAGUYEVJAILTORP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.62
Rot. Bonds6

About 4-ethoxy-1-pyridin-3-ylbutan-2-one

4-ethoxy-1-pyridin-3-ylbutan-2-one (PubChem CID 94504995) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-ethoxy-1-pyridin-3-ylbutan-2-one.

Molecular Properties

Compound Name4-ethoxy-1-pyridin-3-ylbutan-2-one
PubChem CID94504995
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-ethoxy-1-pyridin-3-ylbutan-2-one
SMILESCCOCCC(=O)Cc1cccnc1
InChIInChI=1S/C11H15NO2/c1-2-14-7-5-11(13)8-10-4-3-6-12-9-10/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyAGUYEVJAILTORP-UHFFFAOYSA-N
XLogP1.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-3-yldecan-2-one
CID 62621024
ethyl 3-oxo-4-pyridin-3-ylbutanoate
CID 62551209
5-methyl-1-pyridin-3-ylhex-5-en-2-one
CID 114473524
5-hydroxy-1-pyridin-3-ylpentan-2-one
CID 106677611
tert-butyl 4-oxo-5-pyridin-3-ylpentanoate
CID 58498103
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one
CID 55086755
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
CID 44818466
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
1-pyridin-3-ylpent-4-yn-2-one
CID 62551536

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-pyridin-3-ylbutan-2-one?
The IUPAC name of 4-ethoxy-1-pyridin-3-ylbutan-2-one (CID 94504995) is 4-ethoxy-1-pyridin-3-ylbutan-2-one.
What is the SMILES notation for 4-ethoxy-1-pyridin-3-ylbutan-2-one?
The canonical SMILES for 4-ethoxy-1-pyridin-3-ylbutan-2-one is CCOCCC(=O)Cc1cccnc1.
What is the InChIKey of 4-ethoxy-1-pyridin-3-ylbutan-2-one?
The InChIKey is AGUYEVJAILTORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-7-5-11(13)8-10-4-3-6-12-9-10/h3-4,6,9H,2,5,7-8H2,1H3.
What are the key properties of 4-ethoxy-1-pyridin-3-ylbutan-2-one?
4-ethoxy-1-pyridin-3-ylbutan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-pyridin-3-ylbutan-2-one is sourced from PubChem (CID 94504995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).