4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one

C12H19NO — CID 58327598

IUPAC4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(C(C)C)c1C(C)C
InChIInChI=1S/C12H19NO/c1-7(2)11-9(5)6-10(14)13-12(11)8(3)4/h6-8H,1-5H3,(H,13,14)
InChIKeyNQHMZAGZSVNCKY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.93
Rot. Bonds2

About 4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one

4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one (PubChem CID 58327598) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one
PubChem CID58327598
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(C(C)C)c1C(C)C
InChIInChI=1S/C12H19NO/c1-7(2)11-9(5)6-10(14)13-12(11)8(3)4/h6-8H,1-5H3,(H,13,14)
InChIKeyNQHMZAGZSVNCKY-UHFFFAOYSA-N
XLogP2.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-5,6-di(propan-2-yl)-1H-pyridin-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 4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one (CID 58327598) is 4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one is Cc1cc(=O)[nH]c(C(C)C)c1C(C)C.
What is the InChIKey of 4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one?
The InChIKey is NQHMZAGZSVNCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-7(2)11-9(5)6-10(14)13-12(11)8(3)4/h6-8H,1-5H3,(H,13,14).
What are the key properties of 4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one?
4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 58327598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).