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

C12H19NO — CID 59463801

IUPAC3,4,5,6-tetramethyl-1-propan-2-ylpyridin-2-one
SMILESCc1c(C)c(C)n(C(C)C)c(=O)c1C
InChIInChI=1S/C12H19NO/c1-7(2)13-11(6)9(4)8(3)10(5)12(13)14/h7H,1-6H3
InChIKeyUHPTXAOTKDQDMF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.66
Rot. Bonds1

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

3,4,5,6-tetramethyl-1-propan-2-ylpyridin-2-one (PubChem CID 59463801) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3,4,5,6-tetramethyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3,4,5,6-tetramethyl-1-propan-2-ylpyridin-2-one
PubChem CID59463801
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3,4,5,6-tetramethyl-1-propan-2-ylpyridin-2-one
SMILESCc1c(C)c(C)n(C(C)C)c(=O)c1C
InChIInChI=1S/C12H19NO/c1-7(2)13-11(6)9(4)8(3)10(5)12(13)14/h7H,1-6H3
InChIKeyUHPTXAOTKDQDMF-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetramethyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3,4,5,6-tetramethyl-1-propan-2-ylpyridin-2-one (CID 59463801) is 3,4,5,6-tetramethyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3,4,5,6-tetramethyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3,4,5,6-tetramethyl-1-propan-2-ylpyridin-2-one is Cc1c(C)c(C)n(C(C)C)c(=O)c1C.
What is the InChIKey of 3,4,5,6-tetramethyl-1-propan-2-ylpyridin-2-one?
The InChIKey is UHPTXAOTKDQDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-7(2)13-11(6)9(4)8(3)10(5)12(13)14/h7H,1-6H3.
What are the key properties of 3,4,5,6-tetramethyl-1-propan-2-ylpyridin-2-one?
3,4,5,6-tetramethyl-1-propan-2-ylpyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetramethyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 59463801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).