1-(2-ethoxy-3-pyridinyl)hexan-1-one

C13H19NO2 — CID 86237866

IUPAC1-(2-ethoxy-3-pyridinyl)hexan-1-one
SMILESCCCCCC(=O)c1cccnc1OCC
InChIInChI=1S/C13H19NO2/c1-3-5-6-9-12(15)11-8-7-10-14-13(11)16-4-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyKZIBRWZWHZEKFS-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.24
Rot. Bonds7

About 1-(2-ethoxy-3-pyridinyl)hexan-1-one

1-(2-ethoxy-3-pyridinyl)hexan-1-one (PubChem CID 86237866) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-ethoxy-3-pyridinyl)hexan-1-one.

Molecular Properties

Compound Name1-(2-ethoxy-3-pyridinyl)hexan-1-one
PubChem CID86237866
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2-ethoxy-3-pyridinyl)hexan-1-one
SMILESCCCCCC(=O)c1cccnc1OCC
InChIInChI=1S/C13H19NO2/c1-3-5-6-9-12(15)11-8-7-10-14-13(11)16-4-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyKZIBRWZWHZEKFS-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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-methoxy-3-pyridinyl)octan-1-one
CID 105086571
tert-butyl N-[5-(2-ethoxy-3-pyridinyl)-5-oxopentyl]carbamate
CID 102539404
1-(2-methyl-3-pyridinyl)hexan-1-one
CID 105087719
1-quinolin-5-ylhexan-1-one
CID 115789824
2-ethoxy-N,N-dipropylpyridine-3-carboxamide
CID 78836443
2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide
CID 42631177
1-(3-hydroxy-2-pyridinyl)nonan-1-one
CID 137395419
1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-one
CID 105084342
1-pyridin-2-ylhexan-1-one
CID 556347
1-(3-ethyl-2-pyridinyl)octan-1-one
CID 82730570
CID 20678160
CID 20678160
1-[2-(butylamino)-3-pyridinyl]pentan-1-one
CID 139998129

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3-pyridinyl)hexan-1-one?
The IUPAC name of 1-(2-ethoxy-3-pyridinyl)hexan-1-one (CID 86237866) is 1-(2-ethoxy-3-pyridinyl)hexan-1-one.
What is the SMILES notation for 1-(2-ethoxy-3-pyridinyl)hexan-1-one?
The canonical SMILES for 1-(2-ethoxy-3-pyridinyl)hexan-1-one is CCCCCC(=O)c1cccnc1OCC.
What is the InChIKey of 1-(2-ethoxy-3-pyridinyl)hexan-1-one?
The InChIKey is KZIBRWZWHZEKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-5-6-9-12(15)11-8-7-10-14-13(11)16-4-2/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 1-(2-ethoxy-3-pyridinyl)hexan-1-one?
1-(2-ethoxy-3-pyridinyl)hexan-1-one has a molecular weight of 221.30 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3-pyridinyl)hexan-1-one is sourced from PubChem (CID 86237866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).