6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one

C11H14N2O2 — CID 54344134

IUPAC6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCC(=O)C(C)n1ccc2c(c1=O)NCC2
InChIInChI=1S/C11H14N2O2/c1-7(8(2)14)13-6-4-9-3-5-12-10(9)11(13)15/h4,6-7,12H,3,5H2,1-2H3
InChIKeyUBBRAMFAKXSTPX-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.97
Rot. Bonds2

About 6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one

6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 54344134) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID54344134
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCC(=O)C(C)n1ccc2c(c1=O)NCC2
InChIInChI=1S/C11H14N2O2/c1-7(8(2)14)13-6-4-9-3-5-12-10(9)11(13)15/h4,6-7,12H,3,5H2,1-2H3
InChIKeyUBBRAMFAKXSTPX-UHFFFAOYSA-N
XLogP0.97
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-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 6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one (CID 54344134) is 6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one is CC(=O)C(C)n1ccc2c(c1=O)NCC2.
What is the InChIKey of 6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is UBBRAMFAKXSTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(8(2)14)13-6-4-9-3-5-12-10(9)11(13)15/h4,6-7,12H,3,5H2,1-2H3.
What are the key properties of 6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one?
6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 206.25 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 54344134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).