1-(6-methyl-2-pyridinyl)-2-propoxyethanone

C11H15NO2 — CID 79567849

IUPAC1-(6-methyl-2-pyridinyl)-2-propoxyethanone
SMILESCCCOCC(=O)c1cccc(C)n1
InChIInChI=1S/C11H15NO2/c1-3-7-14-8-11(13)10-6-4-5-9(2)12-10/h4-6H,3,7-8H2,1-2H3
InChIKeyRPCAZTQZLVXXGE-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.00
Rot. Bonds5

About 1-(6-methyl-2-pyridinyl)-2-propoxyethanone

1-(6-methyl-2-pyridinyl)-2-propoxyethanone (PubChem CID 79567849) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-2-propoxyethanone
PubChem CID79567849
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(6-methyl-2-pyridinyl)-2-propoxyethanone
SMILESCCCOCC(=O)c1cccc(C)n1
InChIInChI=1S/C11H15NO2/c1-3-7-14-8-11(13)10-6-4-5-9(2)12-10/h4-6H,3,7-8H2,1-2H3
InChIKeyRPCAZTQZLVXXGE-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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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-2-propoxyethanone?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-2-propoxyethanone (CID 79567849) is 1-(6-methyl-2-pyridinyl)-2-propoxyethanone.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-2-propoxyethanone?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-2-propoxyethanone is CCCOCC(=O)c1cccc(C)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-2-propoxyethanone?
The InChIKey is RPCAZTQZLVXXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-7-14-8-11(13)10-6-4-5-9(2)12-10/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 1-(6-methyl-2-pyridinyl)-2-propoxyethanone?
1-(6-methyl-2-pyridinyl)-2-propoxyethanone 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 1-(6-methyl-2-pyridinyl)-2-propoxyethanone is sourced from PubChem (CID 79567849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).