1-(2-methoxy-3-pyridinyl)octan-1-one

C14H21NO2 — CID 105086571

IUPAC1-(2-methoxy-3-pyridinyl)octan-1-one
SMILESCCCCCCCC(=O)c1cccnc1OC
InChIInChI=1S/C14H21NO2/c1-3-4-5-6-7-10-13(16)12-9-8-11-15-14(12)17-2/h8-9,11H,3-7,10H2,1-2H3
InChIKeyRYNPKOBGIDJUMY-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.63
Rot. Bonds8

About 1-(2-methoxy-3-pyridinyl)octan-1-one

1-(2-methoxy-3-pyridinyl)octan-1-one (PubChem CID 105086571) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)octan-1-one.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)octan-1-one
PubChem CID105086571
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(2-methoxy-3-pyridinyl)octan-1-one
SMILESCCCCCCCC(=O)c1cccnc1OC
InChIInChI=1S/C14H21NO2/c1-3-4-5-6-7-10-13(16)12-9-8-11-15-14(12)17-2/h8-9,11H,3-7,10H2,1-2H3
InChIKeyRYNPKOBGIDJUMY-UHFFFAOYSA-N
XLogP3.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.63
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-(2-ethoxy-3-pyridinyl)hexan-1-one
CID 86237866
1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-one
CID 105084342
1-(2-methyl-3-pyridinyl)hexan-1-one
CID 105087719
1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 105087086
1-(3-methoxypyrazin-2-yl)octan-1-one
CID 115797152
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
1-quinolin-5-ylhexan-1-one
CID 115789824
3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one
CID 114192802
1-(3-hydroxy-2-pyridinyl)nonan-1-one
CID 137395419
1-(3-ethyl-2-pyridinyl)octan-1-one
CID 82730570
1-(2-hydroxy-3-octanoylphenyl)octan-1-one
CID 23530125
2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105078628

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)octan-1-one?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)octan-1-one (CID 105086571) is 1-(2-methoxy-3-pyridinyl)octan-1-one.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)octan-1-one?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)octan-1-one is CCCCCCCC(=O)c1cccnc1OC.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)octan-1-one?
The InChIKey is RYNPKOBGIDJUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-4-5-6-7-10-13(16)12-9-8-11-15-14(12)17-2/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)octan-1-one?
1-(2-methoxy-3-pyridinyl)octan-1-one has a molecular weight of 235.33 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)octan-1-one is sourced from PubChem (CID 105086571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).