3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one

C11H15NO2 — CID 105098804

IUPAC3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one
SMILESCCOCCC(=O)c1ccc(C)nc1
InChIInChI=1S/C11H15NO2/c1-3-14-7-6-11(13)10-5-4-9(2)12-8-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyNNWVOKVYKJXMKR-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.00
Rot. Bonds5

About 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one

3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one (PubChem CID 105098804) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one
PubChem CID105098804
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one
SMILESCCOCCC(=O)c1ccc(C)nc1
InChIInChI=1S/C11H15NO2/c1-3-14-7-6-11(13)10-5-4-9(2)12-8-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyNNWVOKVYKJXMKR-UHFFFAOYSA-N
XLogP2.00
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.00
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-(6-chloro-3-pyridinyl)-4-(6-methyl-3-pyridinyl)butane-1,4-dione
CID 90363391
1-(3,4-dimethylphenyl)-3-ethoxypropan-1-one
CID 105093547
3-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 115601483
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476
3-ethoxy-1-pyridin-4-ylpropan-1-one
CID 114997236
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone
CID 82596607
3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097425
3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one
CID 116559219
5-ethoxy-1-pyridin-3-ylpentan-1-one
CID 121009142
2-(6-methyl-3-pyridinyl)-2-oxoacetamide
CID 57047401
tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate
CID 102539098

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one (CID 105098804) is 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one is CCOCCC(=O)c1ccc(C)nc1.
What is the InChIKey of 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one?
The InChIKey is NNWVOKVYKJXMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-14-7-6-11(13)10-5-4-9(2)12-8-10/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one?
3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one has a molecular weight of 193.25 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 105098804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).