1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one

C13H19NO2 — CID 79745887

IUPAC1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one
SMILESCCc1ccc(CC(=O)CCCOC)nc1
InChIInChI=1S/C13H19NO2/c1-3-11-6-7-12(14-10-11)9-13(15)5-4-8-16-2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyWGUGQENCQVSHEL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.18
Rot. Bonds7

About 1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one

1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one (PubChem CID 79745887) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one
PubChem CID79745887
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one
SMILESCCc1ccc(CC(=O)CCCOC)nc1
InChIInChI=1S/C13H19NO2/c1-3-11-6-7-12(14-10-11)9-13(15)5-4-8-16-2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyWGUGQENCQVSHEL-UHFFFAOYSA-N
XLogP2.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.18
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-(5-bromo-2-pyridinyl)-5-methoxypentan-2-one
CID 104798952
7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one
CID 116549923
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786128
1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561045
5-amino-1-(5-ethyl-2-pyridinyl)hexan-2-one
CID 116571567
1-(5-ethyl-2-pyridinyl)heptan-4-one
CID 79738865
1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
CID 116562736
1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
CID 116554816
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
1-(4-chlorophenyl)-5-methoxypentan-2-one
CID 62621697
N-[(5-ethyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine
CID 90369559
1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one
CID 116746778

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one (CID 79745887) is 1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one is CCc1ccc(CC(=O)CCCOC)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one?
The InChIKey is WGUGQENCQVSHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-11-6-7-12(14-10-11)9-13(15)5-4-8-16-2/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one?
1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one is sourced from PubChem (CID 79745887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).