5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one

C14H21NO2 — CID 59889187

IUPAC5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one
SMILESCC(=O)c1cn(C)c(C(C)C)c(C(C)C)c1=O
InChIInChI=1S/C14H21NO2/c1-8(2)12-13(9(3)4)15(6)7-11(10(5)16)14(12)17/h7-9H,1-6H3
InChIKeyIGNMULXTMSURNQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.83
Rot. Bonds3

About 5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one

5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one (PubChem CID 59889187) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one.

Molecular Properties

Compound Name5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one
PubChem CID59889187
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one
SMILESCC(=O)c1cn(C)c(C(C)C)c(C(C)C)c1=O
InChIInChI=1S/C14H21NO2/c1-8(2)12-13(9(3)4)15(6)7-11(10(5)16)14(12)17/h7-9H,1-6H3
InChIKeyIGNMULXTMSURNQ-UHFFFAOYSA-N
XLogP2.83
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one?
The IUPAC name of 5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one (CID 59889187) is 5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one.
What is the SMILES notation for 5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one?
The canonical SMILES for 5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one is CC(=O)c1cn(C)c(C(C)C)c(C(C)C)c1=O.
What is the InChIKey of 5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one?
The InChIKey is IGNMULXTMSURNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-8(2)12-13(9(3)4)15(6)7-11(10(5)16)14(12)17/h7-9H,1-6H3.
What are the key properties of 5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one?
5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one has a molecular weight of 235.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one is sourced from PubChem (CID 59889187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).