2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone

C13H17NO3 — CID 116709078

IUPAC2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
SMILESCCOc1cncc(C(=O)C(OC)C2CC2)c1
InChIInChI=1S/C13H17NO3/c1-3-17-11-6-10(7-14-8-11)12(15)13(16-2)9-4-5-9/h6-9,13H,3-5H2,1-2H3
InChIKeyRRBWTKKPLLYLAJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.09
Rot. Bonds6

About 2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone

2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone (PubChem CID 116709078) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
PubChem CID116709078
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
SMILESCCOc1cncc(C(=O)C(OC)C2CC2)c1
InChIInChI=1S/C13H17NO3/c1-3-17-11-6-10(7-14-8-11)12(15)13(16-2)9-4-5-9/h6-9,13H,3-5H2,1-2H3
InChIKeyRRBWTKKPLLYLAJ-UHFFFAOYSA-N
XLogP2.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone
CID 116709111
2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 116680661
2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone
CID 116750950
3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116612385
2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone
CID 116709222
1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one
CID 115793668
2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116555212
(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone
CID 107187365
3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 115793861
2-cyclopropyl-2-methoxy-1-(6-methyl-3-pyridinyl)ethanone
CID 116709132
(5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 116750301
(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone
CID 103450649

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone?
The IUPAC name of 2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone (CID 116709078) is 2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone.
What is the SMILES notation for 2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone?
The canonical SMILES for 2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone is CCOc1cncc(C(=O)C(OC)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone?
The InChIKey is RRBWTKKPLLYLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-17-11-6-10(7-14-8-11)12(15)13(16-2)9-4-5-9/h6-9,13H,3-5H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone?
2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone has a molecular weight of 235.28 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone is sourced from PubChem (CID 116709078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).