6-hexan-3-yl-3-methyl-1H-pyridin-2-one

C12H19NO — CID 144533250

IUPAC6-hexan-3-yl-3-methyl-1H-pyridin-2-one
SMILESCCCC(CC)c1ccc(C)c(=O)[nH]1
InChIInChI=1S/C12H19NO/c1-4-6-10(5-2)11-8-7-9(3)12(14)13-11/h7-8,10H,4-6H2,1-3H3,(H,13,14)
InChIKeyMSFXQYRPOCYYMF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.98
Rot. Bonds4

About 6-hexan-3-yl-3-methyl-1H-pyridin-2-one

6-hexan-3-yl-3-methyl-1H-pyridin-2-one (PubChem CID 144533250) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 6-hexan-3-yl-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-hexan-3-yl-3-methyl-1H-pyridin-2-one
PubChem CID144533250
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name6-hexan-3-yl-3-methyl-1H-pyridin-2-one
SMILESCCCC(CC)c1ccc(C)c(=O)[nH]1
InChIInChI=1S/C12H19NO/c1-4-6-10(5-2)11-8-7-9(3)12(14)13-11/h7-8,10H,4-6H2,1-3H3,(H,13,14)
InChIKeyMSFXQYRPOCYYMF-UHFFFAOYSA-N
XLogP2.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91299490
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5-hexan-3-yl-4-hydroxy-3H-1,3-thiazol-2-one
CID 123978896
4-hexan-3-ylbenzaldehyde
CID 142249319
ethane;1-ethyl-2-hexan-3-ylbenzene
CID 165145601
4-hexan-3-yl-3-methyl-1H-imidazo[4,5-c]pyridin-2-one
CID 67272996
4-hexan-3-ylbenzenethiol
CID 69434915
2-heptan-3-yl-1H-pyrrole
CID 151647430
2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65230425
6-hexan-3-yl-2-methylpyridine-3-carbaldehyde
CID 175979795
1-(1-bromopentan-2-yl)-4-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 6-hexan-3-yl-3-methyl-1H-pyridin-2-one?
The IUPAC name of 6-hexan-3-yl-3-methyl-1H-pyridin-2-one (CID 144533250) is 6-hexan-3-yl-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-hexan-3-yl-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-hexan-3-yl-3-methyl-1H-pyridin-2-one is CCCC(CC)c1ccc(C)c(=O)[nH]1.
What is the InChIKey of 6-hexan-3-yl-3-methyl-1H-pyridin-2-one?
The InChIKey is MSFXQYRPOCYYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-6-10(5-2)11-8-7-9(3)12(14)13-11/h7-8,10H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 6-hexan-3-yl-3-methyl-1H-pyridin-2-one?
6-hexan-3-yl-3-methyl-1H-pyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexan-3-yl-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 144533250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).