1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone

C12H15NO2 — CID 54264390

IUPAC1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone
SMILESCC(=O)c1nc(C(C)=O)c(C)c(C)c1C
InChIInChI=1S/C12H15NO2/c1-6-7(2)11(9(4)14)13-12(8(6)3)10(5)15/h1-5H3
InChIKeyRFSWWYGWMOVINF-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.41
Rot. Bonds2

About 1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone

1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone (PubChem CID 54264390) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone
PubChem CID54264390
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone
SMILESCC(=O)c1nc(C(C)=O)c(C)c(C)c1C
InChIInChI=1S/C12H15NO2/c1-6-7(2)11(9(4)14)13-12(8(6)3)10(5)15/h1-5H3
InChIKeyRFSWWYGWMOVINF-UHFFFAOYSA-N
XLogP2.41
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone (CID 54264390) is 1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone is CC(=O)c1nc(C(C)=O)c(C)c(C)c1C.
What is the InChIKey of 1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone?
The InChIKey is RFSWWYGWMOVINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-6-7(2)11(9(4)14)13-12(8(6)3)10(5)15/h1-5H3.
What are the key properties of 1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone?
1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone has a molecular weight of 205.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 54264390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).