1,3,4,6-tetramethyl-5-propan-2-ylpyridin-2-one

C12H19NO — CID 59339044

IUPAC1,3,4,6-tetramethyl-5-propan-2-ylpyridin-2-one
SMILESCc1c(C(C)C)c(C)n(C)c(=O)c1C
InChIInChI=1S/C12H19NO/c1-7(2)11-8(3)9(4)12(14)13(6)10(11)5/h7H,1-6H3
InChIKeyPHFUJNNVAGLIRZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.43
Rot. Bonds1

About 1,3,4,6-tetramethyl-5-propan-2-ylpyridin-2-one

1,3,4,6-tetramethyl-5-propan-2-ylpyridin-2-one (PubChem CID 59339044) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1,3,4,6-tetramethyl-5-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1,3,4,6-tetramethyl-5-propan-2-ylpyridin-2-one
PubChem CID59339044
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1,3,4,6-tetramethyl-5-propan-2-ylpyridin-2-one
SMILESCc1c(C(C)C)c(C)n(C)c(=O)c1C
InChIInChI=1S/C12H19NO/c1-7(2)11-8(3)9(4)12(14)13(6)10(11)5/h7H,1-6H3
InChIKeyPHFUJNNVAGLIRZ-UHFFFAOYSA-N
XLogP2.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.43
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-tetramethyl-5-propan-2-ylpyridin-2-one?
The IUPAC name of 1,3,4,6-tetramethyl-5-propan-2-ylpyridin-2-one (CID 59339044) is 1,3,4,6-tetramethyl-5-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1,3,4,6-tetramethyl-5-propan-2-ylpyridin-2-one?
The canonical SMILES for 1,3,4,6-tetramethyl-5-propan-2-ylpyridin-2-one is Cc1c(C(C)C)c(C)n(C)c(=O)c1C.
What is the InChIKey of 1,3,4,6-tetramethyl-5-propan-2-ylpyridin-2-one?
The InChIKey is PHFUJNNVAGLIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-7(2)11-8(3)9(4)12(14)13(6)10(11)5/h7H,1-6H3.
What are the key properties of 1,3,4,6-tetramethyl-5-propan-2-ylpyridin-2-one?
1,3,4,6-tetramethyl-5-propan-2-ylpyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetramethyl-5-propan-2-ylpyridin-2-one is sourced from PubChem (CID 59339044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).