2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone

C14H19NO3 — CID 116709111

IUPAC2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone
SMILESCCCOc1cncc(C(=O)C(OC)C2CC2)c1
InChIInChI=1S/C14H19NO3/c1-3-6-18-12-7-11(8-15-9-12)13(16)14(17-2)10-4-5-10/h7-10,14H,3-6H2,1-2H3
InChIKeySDYSFLQIMXZMEI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.48
Rot. Bonds7

About 2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone

2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone (PubChem CID 116709111) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone
PubChem CID116709111
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone
SMILESCCCOc1cncc(C(=O)C(OC)C2CC2)c1
InChIInChI=1S/C14H19NO3/c1-3-6-18-12-7-11(8-15-9-12)13(16)14(17-2)10-4-5-10/h7-10,14H,3-6H2,1-2H3
InChIKeySDYSFLQIMXZMEI-UHFFFAOYSA-N
XLogP2.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116680587
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone
CID 116750950
(4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone
CID 105124282
2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone
CID 103458173
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone
CID 116547773
2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone
CID 116709222
2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116554859
5-hexoxypyridine-3-carboxylic acid
CID 63850317

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone?
The IUPAC name of 2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone (CID 116709111) is 2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone is CCCOc1cncc(C(=O)C(OC)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone?
The InChIKey is SDYSFLQIMXZMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-6-18-12-7-11(8-15-9-12)13(16)14(17-2)10-4-5-10/h7-10,14H,3-6H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone?
2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 116709111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).