1,4,5,6-tetramethylpyridin-2-one

C9H13NO — CID 13433091

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

About 1,4,5,6-tetramethylpyridin-2-one

1,4,5,6-tetramethylpyridin-2-one (PubChem CID 13433091) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,4,5,6-tetramethylpyridin-2-one.

Molecular Properties

Compound Name1,4,5,6-tetramethylpyridin-2-one
PubChem CID13433091
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1,4,5,6-tetramethylpyridin-2-one
SMILESCc1cc(=O)n(C)c(C)c1C
InChIInChI=1S/C9H13NO/c1-6-5-9(11)10(4)8(3)7(6)2/h5H,1-4H3
InChIKeyZXNPOFCEDHASRZ-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 1,4,5,6-tetramethylpyridin-2-one?
The IUPAC name of 1,4,5,6-tetramethylpyridin-2-one (CID 13433091) is 1,4,5,6-tetramethylpyridin-2-one.
What is the SMILES notation for 1,4,5,6-tetramethylpyridin-2-one?
The canonical SMILES for 1,4,5,6-tetramethylpyridin-2-one is Cc1cc(=O)n(C)c(C)c1C.
What is the InChIKey of 1,4,5,6-tetramethylpyridin-2-one?
The InChIKey is ZXNPOFCEDHASRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-5-9(11)10(4)8(3)7(6)2/h5H,1-4H3.
What are the key properties of 1,4,5,6-tetramethylpyridin-2-one?
1,4,5,6-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 1,4,5,6-tetramethylpyridin-2-one is sourced from PubChem (CID 13433091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).