6-hexan-2-yl-5-methyl-1H-pyridin-2-one

C12H19NO — CID 89260937

IUPAC6-hexan-2-yl-5-methyl-1H-pyridin-2-one
SMILESCCCCC(C)c1[nH]c(=O)ccc1C
InChIInChI=1S/C12H19NO/c1-4-5-6-9(2)12-10(3)7-8-11(14)13-12/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyZKJZVWRYONVNKX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.98
Rot. Bonds4

About 6-hexan-2-yl-5-methyl-1H-pyridin-2-one

6-hexan-2-yl-5-methyl-1H-pyridin-2-one (PubChem CID 89260937) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 6-hexan-2-yl-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-hexan-2-yl-5-methyl-1H-pyridin-2-one
PubChem CID89260937
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name6-hexan-2-yl-5-methyl-1H-pyridin-2-one
SMILESCCCCC(C)c1[nH]c(=O)ccc1C
InChIInChI=1S/C12H19NO/c1-4-5-6-9(2)12-10(3)7-8-11(14)13-12/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyZKJZVWRYONVNKX-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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Frequently Asked Questions

What is the IUPAC name of 6-hexan-2-yl-5-methyl-1H-pyridin-2-one?
The IUPAC name of 6-hexan-2-yl-5-methyl-1H-pyridin-2-one (CID 89260937) is 6-hexan-2-yl-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-hexan-2-yl-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-hexan-2-yl-5-methyl-1H-pyridin-2-one is CCCCC(C)c1[nH]c(=O)ccc1C.
What is the InChIKey of 6-hexan-2-yl-5-methyl-1H-pyridin-2-one?
The InChIKey is ZKJZVWRYONVNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-6-9(2)12-10(3)7-8-11(14)13-12/h7-9H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 6-hexan-2-yl-5-methyl-1H-pyridin-2-one?
6-hexan-2-yl-5-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-2-yl-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 89260937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).