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

C11H15NO2 — CID 45074562

IUPAC4-ethoxy-1-pyridin-2-ylbutan-1-one
SMILESCCOCCCC(=O)c1ccccn1
InChIInChI=1S/C11H15NO2/c1-2-14-9-5-7-11(13)10-6-3-4-8-12-10/h3-4,6,8H,2,5,7,9H2,1H3
InChIKeyUDYSTEAPAXFNNA-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.08
Rot. Bonds6

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

4-ethoxy-1-pyridin-2-ylbutan-1-one (PubChem CID 45074562) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-ethoxy-1-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name4-ethoxy-1-pyridin-2-ylbutan-1-one
PubChem CID45074562
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-ethoxy-1-pyridin-2-ylbutan-1-one
SMILESCCOCCCC(=O)c1ccccn1
InChIInChI=1S/C11H15NO2/c1-2-14-9-5-7-11(13)10-6-3-4-8-12-10/h3-4,6,8H,2,5,7,9H2,1H3
InChIKeyUDYSTEAPAXFNNA-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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-2-ylhexan-1-one
CID 556347
4-ethoxy-1-(6-methyl-2-pyridinyl)butan-1-one
CID 121013346
1-pyridin-2-yl-4-sulfanylbutan-1-one
CID 20509868
4-(methylamino)-1-pyridin-2-ylbutan-1-one
CID 83816768
4-methylsulfonyl-1-pyridin-2-ylbutan-1-one
CID 63192067
4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 86824151
3-(4-butoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185267
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
ethyl pyridine-2-carboxylate
CID 17307

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-pyridin-2-ylbutan-1-one?
The IUPAC name of 4-ethoxy-1-pyridin-2-ylbutan-1-one (CID 45074562) is 4-ethoxy-1-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 4-ethoxy-1-pyridin-2-ylbutan-1-one?
The canonical SMILES for 4-ethoxy-1-pyridin-2-ylbutan-1-one is CCOCCCC(=O)c1ccccn1.
What is the InChIKey of 4-ethoxy-1-pyridin-2-ylbutan-1-one?
The InChIKey is UDYSTEAPAXFNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-9-5-7-11(13)10-6-3-4-8-12-10/h3-4,6,8H,2,5,7,9H2,1H3.
What are the key properties of 4-ethoxy-1-pyridin-2-ylbutan-1-one?
4-ethoxy-1-pyridin-2-ylbutan-1-one has a molecular weight of 193.25 g/mol, XLogP of 2.08, 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-2-ylbutan-1-one is sourced from PubChem (CID 45074562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).