1,3,4,6-tetramethylpyridin-2-one

C9H13NO — CID 12913257

IUPAC1,3,4,6-tetramethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C
InChIInChI=1S/C9H13NO/c1-6-5-7(2)10(4)9(11)8(6)3/h5H,1-4H3
InChIKeyCWMKSXXMTGIROD-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.31
Rot. Bonds

About 1,3,4,6-tetramethylpyridin-2-one

1,3,4,6-tetramethylpyridin-2-one (PubChem CID 12913257) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,3,4,6-tetramethylpyridin-2-one.

Molecular Properties

Compound Name1,3,4,6-tetramethylpyridin-2-one
PubChem CID12913257
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1,3,4,6-tetramethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C
InChIInChI=1S/C9H13NO/c1-6-5-7(2)10(4)9(11)8(6)3/h5H,1-4H3
InChIKeyCWMKSXXMTGIROD-UHFFFAOYSA-N
XLogP1.31
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetramethylpyridin-2-one?
The IUPAC name of 1,3,4,6-tetramethylpyridin-2-one (CID 12913257) is 1,3,4,6-tetramethylpyridin-2-one.
What is the SMILES notation for 1,3,4,6-tetramethylpyridin-2-one?
The canonical SMILES for 1,3,4,6-tetramethylpyridin-2-one is Cc1cc(C)n(C)c(=O)c1C.
What is the InChIKey of 1,3,4,6-tetramethylpyridin-2-one?
The InChIKey is CWMKSXXMTGIROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-5-7(2)10(4)9(11)8(6)3/h5H,1-4H3.
What are the key properties of 1,3,4,6-tetramethylpyridin-2-one?
1,3,4,6-tetramethylpyridin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetramethylpyridin-2-one is sourced from PubChem (CID 12913257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).