1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

C9H10N2O — CID 89197292

IUPAC1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESCC(=O)C1CNc2ncccc21
InChIInChI=1S/C9H10N2O/c1-6(12)8-5-11-9-7(8)3-2-4-10-9/h2-4,8H,5H2,1H3,(H,10,11)
InChIKeyVUGYAWQVZITWKQ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.18
Rot. Bonds1

About 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (PubChem CID 89197292) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
PubChem CID89197292
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESCC(=O)C1CNc2ncccc21
InChIInChI=1S/C9H10N2O/c1-6(12)8-5-11-9-7(8)3-2-4-10-9/h2-4,8H,5H2,1H3,(H,10,11)
InChIKeyVUGYAWQVZITWKQ-UHFFFAOYSA-N
XLogP1.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CID 89197292) is 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is CC(=O)C1CNc2ncccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The InChIKey is VUGYAWQVZITWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6(12)8-5-11-9-7(8)3-2-4-10-9/h2-4,8H,5H2,1H3,(H,10,11).
What are the key properties of 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone has a molecular weight of 162.19 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 89197292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).