3-ethoxy-1-pyridin-4-ylpropan-1-one

C10H13NO2 — CID 114997236

IUPAC3-ethoxy-1-pyridin-4-ylpropan-1-one
SMILESCCOCCC(=O)c1ccncc1
InChIInChI=1S/C10H13NO2/c1-2-13-8-5-10(12)9-3-6-11-7-4-9/h3-4,6-7H,2,5,8H2,1H3
InChIKeyONUWGIICOFVTAV-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.69
Rot. Bonds5

About 3-ethoxy-1-pyridin-4-ylpropan-1-one

3-ethoxy-1-pyridin-4-ylpropan-1-one (PubChem CID 114997236) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-ethoxy-1-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-pyridin-4-ylpropan-1-one
PubChem CID114997236
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-ethoxy-1-pyridin-4-ylpropan-1-one
SMILESCCOCCC(=O)c1ccncc1
InChIInChI=1S/C10H13NO2/c1-2-13-8-5-10(12)9-3-6-11-7-4-9/h3-4,6-7H,2,5,8H2,1H3
InChIKeyONUWGIICOFVTAV-UHFFFAOYSA-N
XLogP1.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.69
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

5-ethoxy-1-pyridin-4-ylpentane-1,3-dione
CID 43139027
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476
3-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 115601483
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097425
3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one
CID 105098804
1-pyridin-4-ylhexadecan-1-one
CID 102412701
1-(3,4-dimethylphenyl)-3-ethoxypropan-1-one
CID 105093547
5-ethoxy-1-pyridin-3-ylpentan-1-one
CID 121009142
3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one
CID 54971367
4-ethoxy-1-(4-ethylphenyl)butan-1-one
CID 105085940
4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
CID 105093941

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-pyridin-4-ylpropan-1-one?
The IUPAC name of 3-ethoxy-1-pyridin-4-ylpropan-1-one (CID 114997236) is 3-ethoxy-1-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 3-ethoxy-1-pyridin-4-ylpropan-1-one?
The canonical SMILES for 3-ethoxy-1-pyridin-4-ylpropan-1-one is CCOCCC(=O)c1ccncc1.
What is the InChIKey of 3-ethoxy-1-pyridin-4-ylpropan-1-one?
The InChIKey is ONUWGIICOFVTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-13-8-5-10(12)9-3-6-11-7-4-9/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of 3-ethoxy-1-pyridin-4-ylpropan-1-one?
3-ethoxy-1-pyridin-4-ylpropan-1-one has a molecular weight of 179.22 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 114997236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).