3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one

C14H23NO — CID 20720631

IUPAC3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one
SMILESCCCCC(C)n1cc(C)cc(CC)c1=O
InChIInChI=1S/C14H23NO/c1-5-7-8-12(4)15-10-11(3)9-13(6-2)14(15)16/h9-10,12H,5-8H2,1-4H3
InChIKeyIWWSSMUIQITIBQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.47
Rot. Bonds5

About 3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one

3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one (PubChem CID 20720631) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one.

Molecular Properties

Compound Name3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one
PubChem CID20720631
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one
SMILESCCCCC(C)n1cc(C)cc(CC)c1=O
InChIInChI=1S/C14H23NO/c1-5-7-8-12(4)15-10-11(3)9-13(6-2)14(15)16/h9-10,12H,5-8H2,1-4H3
InChIKeyIWWSSMUIQITIBQ-UHFFFAOYSA-N
XLogP3.47
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2(1H)-Pyridinone, 1-cyclohexyl-3,4,5,6-tetramethyl-
CID 592036
1-Butyl-3-methyl-5,6,7,8-tetrahydro-1h-quinolin-2-one
CID 13169243
1-Methyl-5-(1-methyl-2-pyrrolidinyl)-2(1h)-pyridone
CID 102474190
5-[(Azepan-1-YL)methyl]-1-ethyl-1,2-dihydropyridin-2-one
CID 53015189
5-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 89728117
(Z)-2-[(E)-1-fluoroprop-1-enyl]-3-methyl-1-[(2S)-2-methylpiperidin-1-yl]pent-2-en-1-one
CID 129084795
3-Ethyl-5-fluoro-1-propan-2-ylpyridin-2-one
CID 138466467
6-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 146569437
3-Ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
CID 156737838
1,3-Di(propan-2-yl)-5-(trifluoromethyl)pyridin-2-one
CID 164558718
5-[2-(Dimethylamino)ethyl]-3-fluoro-1-propan-2-ylpyridin-2-one
CID 172281343
5-[3-(Dimethylamino)propyl]-1-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 172281455

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one?
The IUPAC name of 3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one (CID 20720631) is 3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one.
What is the SMILES notation for 3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one?
The canonical SMILES for 3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one is CCCCC(C)n1cc(C)cc(CC)c1=O.
What is the InChIKey of 3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one?
The InChIKey is IWWSSMUIQITIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-7-8-12(4)15-10-11(3)9-13(6-2)14(15)16/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one?
3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hexan-2-yl-5-methylpyridin-2-one is sourced from PubChem (CID 20720631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).