1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one

C9H8N2O2 — CID 11819554

IUPAC1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one
SMILESCC(=O)N1CC(=O)c2cccnc21
InChIInChI=1S/C9H8N2O2/c1-6(12)11-5-8(13)7-3-2-4-10-9(7)11/h2-4H,5H2,1H3
InChIKeyNDXCSLGFVXYJFG-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.63
Rot. Bonds

About 1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one

1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one (PubChem CID 11819554) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one.

Molecular Properties

Compound Name1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one
PubChem CID11819554
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one
SMILESCC(=O)N1CC(=O)c2cccnc21
InChIInChI=1S/C9H8N2O2/c1-6(12)11-5-8(13)7-3-2-4-10-9(7)11/h2-4H,5H2,1H3
InChIKeyNDXCSLGFVXYJFG-UHFFFAOYSA-N
XLogP0.63
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-pyrrolo[3,4-b]pyridin-6-ylethanone
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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one?
The IUPAC name of 1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one (CID 11819554) is 1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one.
What is the SMILES notation for 1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one?
The canonical SMILES for 1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one is CC(=O)N1CC(=O)c2cccnc21.
What is the InChIKey of 1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one?
The InChIKey is NDXCSLGFVXYJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6(12)11-5-8(13)7-3-2-4-10-9(7)11/h2-4H,5H2,1H3.
What are the key properties of 1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one?
1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one has a molecular weight of 176.18 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2H-pyrrolo[2,3-b]pyridin-3-one is sourced from PubChem (CID 11819554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).