1,3,4,5,6-pentamethylpyridin-2-one

C10H15NO — CID 586035

IUPAC1,3,4,5,6-pentamethylpyridin-2-one
SMILESCc1c(C)c(C)n(C)c(=O)c1C
InChIInChI=1S/C10H15NO/c1-6-7(2)9(4)11(5)10(12)8(6)3/h1-5H3
InChIKeyCQLQPERCKHLKSV-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.62
Rot. Bonds

About 1,3,4,5,6-pentamethylpyridin-2-one

1,3,4,5,6-pentamethylpyridin-2-one (PubChem CID 586035) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,3,4,5,6-pentamethylpyridin-2-one.

Molecular Properties

Compound Name1,3,4,5,6-pentamethylpyridin-2-one
PubChem CID586035
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1,3,4,5,6-pentamethylpyridin-2-one
SMILESCc1c(C)c(C)n(C)c(=O)c1C
InChIInChI=1S/C10H15NO/c1-6-7(2)9(4)11(5)10(12)8(6)3/h1-5H3
InChIKeyCQLQPERCKHLKSV-UHFFFAOYSA-N
XLogP1.62
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6-pentamethylpyridin-2-one?
The IUPAC name of 1,3,4,5,6-pentamethylpyridin-2-one (CID 586035) is 1,3,4,5,6-pentamethylpyridin-2-one.
What is the SMILES notation for 1,3,4,5,6-pentamethylpyridin-2-one?
The canonical SMILES for 1,3,4,5,6-pentamethylpyridin-2-one is Cc1c(C)c(C)n(C)c(=O)c1C.
What is the InChIKey of 1,3,4,5,6-pentamethylpyridin-2-one?
The InChIKey is CQLQPERCKHLKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-6-7(2)9(4)11(5)10(12)8(6)3/h1-5H3.
What are the key properties of 1,3,4,5,6-pentamethylpyridin-2-one?
1,3,4,5,6-pentamethylpyridin-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6-pentamethylpyridin-2-one is sourced from PubChem (CID 586035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).