2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one

C12H14N2O2 — CID 159359246

IUPAC2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one
SMILESCC(=O)c1cc2c(C)cn(C)c(=O)c2n1C
InChIInChI=1S/C12H14N2O2/c1-7-6-13(3)12(16)11-9(7)5-10(8(2)15)14(11)4/h5-6H,1-4H3
InChIKeyWIOWFJVYAQNPMZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.39
Rot. Bonds1

About 2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one

2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one (PubChem CID 159359246) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one
PubChem CID159359246
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one
SMILESCC(=O)c1cc2c(C)cn(C)c(=O)c2n1C
InChIInChI=1S/C12H14N2O2/c1-7-6-13(3)12(16)11-9(7)5-10(8(2)15)14(11)4/h5-6H,1-4H3
InChIKeyWIOWFJVYAQNPMZ-UHFFFAOYSA-N
XLogP1.39
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one (CID 159359246) is 2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one is CC(=O)c1cc2c(C)cn(C)c(=O)c2n1C.
What is the InChIKey of 2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one?
The InChIKey is WIOWFJVYAQNPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-6-13(3)12(16)11-9(7)5-10(8(2)15)14(11)4/h5-6H,1-4H3.
What are the key properties of 2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one?
2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one has a molecular weight of 218.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 159359246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).