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

C11H13NO2 — CID 540145

IUPAC1-(5-acetyl-2,6-dimethyl-3-pyridinyl)ethanone
SMILESCC(=O)c1cc(C(C)=O)c(C)nc1C
InChIInChI=1S/C11H13NO2/c1-6-10(8(3)13)5-11(9(4)14)7(2)12-6/h5H,1-4H3
InChIKeyRCACBGGDSKMOCT-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.10
Rot. Bonds2

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

1-(5-acetyl-2,6-dimethyl-3-pyridinyl)ethanone (PubChem CID 540145) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(5-acetyl-2,6-dimethyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-acetyl-2,6-dimethyl-3-pyridinyl)ethanone
PubChem CID540145
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(5-acetyl-2,6-dimethyl-3-pyridinyl)ethanone
SMILESCC(=O)c1cc(C(C)=O)c(C)nc1C
InChIInChI=1S/C11H13NO2/c1-6-10(8(3)13)5-11(9(4)14)7(2)12-6/h5H,1-4H3
InChIKeyRCACBGGDSKMOCT-UHFFFAOYSA-N
XLogP2.10
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2,6-dimethyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(5-acetyl-2,6-dimethyl-3-pyridinyl)ethanone (CID 540145) is 1-(5-acetyl-2,6-dimethyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-acetyl-2,6-dimethyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(5-acetyl-2,6-dimethyl-3-pyridinyl)ethanone is CC(=O)c1cc(C(C)=O)c(C)nc1C.
What is the InChIKey of 1-(5-acetyl-2,6-dimethyl-3-pyridinyl)ethanone?
The InChIKey is RCACBGGDSKMOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-6-10(8(3)13)5-11(9(4)14)7(2)12-6/h5H,1-4H3.
What are the key properties of 1-(5-acetyl-2,6-dimethyl-3-pyridinyl)ethanone?
1-(5-acetyl-2,6-dimethyl-3-pyridinyl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2,6-dimethyl-3-pyridinyl)ethanone is sourced from PubChem (CID 540145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).