3-methyl-1-(4-methylpentyl)pyridin-2-one

C12H19NO — CID 66999936

IUPAC3-methyl-1-(4-methylpentyl)pyridin-2-one
SMILESCc1cccn(CCCC(C)C)c1=O
InChIInChI=1S/C12H19NO/c1-10(2)6-4-8-13-9-5-7-11(3)12(13)14/h5,7,9-10H,4,6,8H2,1-3H3
InChIKeyZEMMIYNGGVBODC-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.59
Rot. Bonds4

About 3-methyl-1-(4-methylpentyl)pyridin-2-one

3-methyl-1-(4-methylpentyl)pyridin-2-one (PubChem CID 66999936) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpentyl)pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(4-methylpentyl)pyridin-2-one
PubChem CID66999936
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-methyl-1-(4-methylpentyl)pyridin-2-one
SMILESCc1cccn(CCCC(C)C)c1=O
InChIInChI=1S/C12H19NO/c1-10(2)6-4-8-13-9-5-7-11(3)12(13)14/h5,7,9-10H,4,6,8H2,1-3H3
InChIKeyZEMMIYNGGVBODC-UHFFFAOYSA-N
XLogP2.59
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpentyl)pyridin-2-one?
The IUPAC name of 3-methyl-1-(4-methylpentyl)pyridin-2-one (CID 66999936) is 3-methyl-1-(4-methylpentyl)pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(4-methylpentyl)pyridin-2-one?
The canonical SMILES for 3-methyl-1-(4-methylpentyl)pyridin-2-one is Cc1cccn(CCCC(C)C)c1=O.
What is the InChIKey of 3-methyl-1-(4-methylpentyl)pyridin-2-one?
The InChIKey is ZEMMIYNGGVBODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)6-4-8-13-9-5-7-11(3)12(13)14/h5,7,9-10H,4,6,8H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methylpentyl)pyridin-2-one?
3-methyl-1-(4-methylpentyl)pyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpentyl)pyridin-2-one is sourced from PubChem (CID 66999936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).