8-(2-ethyl-4-pyridinyl)octan-3-one

C15H23NO — CID 170952669

IUPAC8-(2-ethyl-4-pyridinyl)octan-3-one
SMILESCCC(=O)CCCCCc1ccnc(CC)c1
InChIInChI=1S/C15H23NO/c1-3-14-12-13(10-11-16-14)8-6-5-7-9-15(17)4-2/h10-12H,3-9H2,1-2H3
InChIKeyUSIULKNPPKSABH-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.73
Rot. Bonds8

About 8-(2-ethyl-4-pyridinyl)octan-3-one

8-(2-ethyl-4-pyridinyl)octan-3-one (PubChem CID 170952669) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 8-(2-ethyl-4-pyridinyl)octan-3-one.

Molecular Properties

Compound Name8-(2-ethyl-4-pyridinyl)octan-3-one
PubChem CID170952669
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name8-(2-ethyl-4-pyridinyl)octan-3-one
SMILESCCC(=O)CCCCCc1ccnc(CC)c1
InChIInChI=1S/C15H23NO/c1-3-14-12-13(10-11-16-14)8-6-5-7-9-15(17)4-2/h10-12H,3-9H2,1-2H3
InChIKeyUSIULKNPPKSABH-UHFFFAOYSA-N
XLogP3.73
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-octyl-2-pyridinyl)methanol
CID 156538031
7-(3-propoxyphenyl)heptan-3-one
CID 157062342
(2-ethyl-4-pyridinyl)methanamine;hydrochloride
CID 138109972
1-(4-propyl-2-pyridinyl)pentan-2-one
CID 123890630
8-[4-methyl-3-(methylsulfanylmethoxy)phenyl]octan-3-one
CID 170201256
4-docosylpyridine-2-carboxylic acid
CID 174759337
2-decyl-4-ethylpyridine;tetradecane
CID 174509045
7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid
CID 121355475
6-(3-fluorophenyl)hexan-3-one
CID 64521140
6-(3-chlorophenyl)hexan-3-one
CID 64520537
methane;undecane-3,9-dione
CID 158816586
2-methyl-8-(2-propan-2-yl-4-pyridinyl)oct-1-en-3-one
CID 155188827

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethyl-4-pyridinyl)octan-3-one?
The IUPAC name of 8-(2-ethyl-4-pyridinyl)octan-3-one (CID 170952669) is 8-(2-ethyl-4-pyridinyl)octan-3-one.
What is the SMILES notation for 8-(2-ethyl-4-pyridinyl)octan-3-one?
The canonical SMILES for 8-(2-ethyl-4-pyridinyl)octan-3-one is CCC(=O)CCCCCc1ccnc(CC)c1.
What is the InChIKey of 8-(2-ethyl-4-pyridinyl)octan-3-one?
The InChIKey is USIULKNPPKSABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-14-12-13(10-11-16-14)8-6-5-7-9-15(17)4-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 8-(2-ethyl-4-pyridinyl)octan-3-one?
8-(2-ethyl-4-pyridinyl)octan-3-one has a molecular weight of 233.35 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethyl-4-pyridinyl)octan-3-one is sourced from PubChem (CID 170952669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).