2,4,5-trimethyl-3H-pyridin-6-one

C8H11NO — CID 58981421

IUPAC2,4,5-trimethyl-3H-pyridin-6-one
SMILESCC1=NC(=O)C(C)=C(C)C1
InChIInChI=1S/C8H11NO/c1-5-4-6(2)9-8(10)7(5)3/h4H2,1-3H3
InChIKeyXXAAMLYLTYIADB-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.71
Rot. Bonds

About 2,4,5-trimethyl-3H-pyridin-6-one

2,4,5-trimethyl-3H-pyridin-6-one (PubChem CID 58981421) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2,4,5-trimethyl-3H-pyridin-6-one.

Molecular Properties

Compound Name2,4,5-trimethyl-3H-pyridin-6-one
PubChem CID58981421
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2,4,5-trimethyl-3H-pyridin-6-one
SMILESCC1=NC(=O)C(C)=C(C)C1
InChIInChI=1S/C8H11NO/c1-5-4-6(2)9-8(10)7(5)3/h4H2,1-3H3
InChIKeyXXAAMLYLTYIADB-UHFFFAOYSA-N
XLogP1.71
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-3H-pyridin-6-one?
The IUPAC name of 2,4,5-trimethyl-3H-pyridin-6-one (CID 58981421) is 2,4,5-trimethyl-3H-pyridin-6-one.
What is the SMILES notation for 2,4,5-trimethyl-3H-pyridin-6-one?
The canonical SMILES for 2,4,5-trimethyl-3H-pyridin-6-one is CC1=NC(=O)C(C)=C(C)C1.
What is the InChIKey of 2,4,5-trimethyl-3H-pyridin-6-one?
The InChIKey is XXAAMLYLTYIADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-4-6(2)9-8(10)7(5)3/h4H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-3H-pyridin-6-one?
2,4,5-trimethyl-3H-pyridin-6-one has a molecular weight of 137.18 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-3H-pyridin-6-one is sourced from PubChem (CID 58981421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).