(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate

C9H8N2O3 — CID 175286478

IUPAC(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate
SMILESCC(=O)Oc1ccc2c(n1)NC(=O)C2
InChIInChI=1S/C9H8N2O3/c1-5(12)14-8-3-2-6-4-7(13)10-9(6)11-8/h2-3H,4H2,1H3,(H,10,11,13)
InChIKeyKPKASMDFPGPYTO-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.50
Rot. Bonds1

About (2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate

(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate (PubChem CID 175286478) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is (2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate.

Molecular Properties

Compound Name(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate
PubChem CID175286478
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate
SMILESCC(=O)Oc1ccc2c(n1)NC(=O)C2
InChIInChI=1S/C9H8N2O3/c1-5(12)14-8-3-2-6-4-7(13)10-9(6)11-8/h2-3H,4H2,1H3,(H,10,11,13)
InChIKeyKPKASMDFPGPYTO-UHFFFAOYSA-N
XLogP0.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5301833
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CID 76847817
CID 76847817
CID 76847824
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CID 14471547
CID 14471547
CID 72110920
CID 72110920
CID 14208887
CID 14208887
CID 15121210
CID 15121210
CID 20097220
CID 20097220
CID 21073354
CID 21073354
CID 21073358
CID 21073358
CID 21931654
CID 21931654

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate?
The IUPAC name of (2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate (CID 175286478) is (2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate.
What is the SMILES notation for (2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate?
The canonical SMILES for (2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate is CC(=O)Oc1ccc2c(n1)NC(=O)C2.
What is the InChIKey of (2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate?
The InChIKey is KPKASMDFPGPYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-5(12)14-8-3-2-6-4-7(13)10-9(6)11-8/h2-3H,4H2,1H3,(H,10,11,13).
What are the key properties of (2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate?
(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate has a molecular weight of 192.17 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-6-yl) acetate is sourced from PubChem (CID 175286478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).