1,3,6-trimethylpyridin-2-one

C8H11NO — CID 572563

IUPAC1,3,6-trimethylpyridin-2-one
SMILESCc1ccc(C)n(C)c1=O
InChIInChI=1S/C8H11NO/c1-6-4-5-7(2)9(3)8(6)10/h4-5H,1-3H3
InChIKeyZEMREZVDPYNKNL-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.00
Rot. Bonds

About 1,3,6-trimethylpyridin-2-one

1,3,6-trimethylpyridin-2-one (PubChem CID 572563) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1,3,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name1,3,6-trimethylpyridin-2-one
PubChem CID572563
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1,3,6-trimethylpyridin-2-one
SMILESCc1ccc(C)n(C)c1=O
InChIInChI=1S/C8H11NO/c1-6-4-5-7(2)9(3)8(6)10/h4-5H,1-3H3
InChIKeyZEMREZVDPYNKNL-UHFFFAOYSA-N
XLogP1.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethylpyridin-2-one?
The IUPAC name of 1,3,6-trimethylpyridin-2-one (CID 572563) is 1,3,6-trimethylpyridin-2-one.
What is the SMILES notation for 1,3,6-trimethylpyridin-2-one?
The canonical SMILES for 1,3,6-trimethylpyridin-2-one is Cc1ccc(C)n(C)c1=O.
What is the InChIKey of 1,3,6-trimethylpyridin-2-one?
The InChIKey is ZEMREZVDPYNKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-4-5-7(2)9(3)8(6)10/h4-5H,1-3H3.
What are the key properties of 1,3,6-trimethylpyridin-2-one?
1,3,6-trimethylpyridin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethylpyridin-2-one is sourced from PubChem (CID 572563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).