3,5,6-trimethyl-1H-pyridin-2-one

C8H11NO — CID 14203604

IUPAC3,5,6-trimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(=O)[nH]c1C
InChIInChI=1S/C8H11NO/c1-5-4-6(2)8(10)9-7(5)3/h4H,1-3H3,(H,9,10)
InChIKeyFFLHBPRFUHVYHR-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.30
Rot. Bonds

About 3,5,6-trimethyl-1H-pyridin-2-one

3,5,6-trimethyl-1H-pyridin-2-one (PubChem CID 14203604) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3,5,6-trimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5,6-trimethyl-1H-pyridin-2-one
PubChem CID14203604
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3,5,6-trimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(=O)[nH]c1C
InChIInChI=1S/C8H11NO/c1-5-4-6(2)8(10)9-7(5)3/h4H,1-3H3,(H,9,10)
InChIKeyFFLHBPRFUHVYHR-UHFFFAOYSA-N
XLogP1.30
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-1H-pyridin-2-one?
The IUPAC name of 3,5,6-trimethyl-1H-pyridin-2-one (CID 14203604) is 3,5,6-trimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3,5,6-trimethyl-1H-pyridin-2-one?
The canonical SMILES for 3,5,6-trimethyl-1H-pyridin-2-one is Cc1cc(C)c(=O)[nH]c1C.
What is the InChIKey of 3,5,6-trimethyl-1H-pyridin-2-one?
The InChIKey is FFLHBPRFUHVYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-4-6(2)8(10)9-7(5)3/h4H,1-3H3,(H,9,10).
What are the key properties of 3,5,6-trimethyl-1H-pyridin-2-one?
3,5,6-trimethyl-1H-pyridin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-1H-pyridin-2-one is sourced from PubChem (CID 14203604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).