2-(1-oxamoylindol-2-yl)-2-oxoacetamide

C12H9N3O4 — CID 68855210

IUPAC2-(1-oxamoylindol-2-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)c1cc2ccccc2n1C(=O)C(N)=O
InChIInChI=1S/C12H9N3O4/c13-10(17)9(16)8-5-6-3-1-2-4-7(6)15(8)12(19)11(14)18/h1-5H,(H2,13,17)(H2,14,18)
InChIKeyVWCRWTWPZYITPC-UHFFFAOYSA-N
MW259.22 g/mol
LogP-0.57
Rot. Bonds2

About 2-(1-oxamoylindol-2-yl)-2-oxoacetamide

2-(1-oxamoylindol-2-yl)-2-oxoacetamide (PubChem CID 68855210) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is 2-(1-oxamoylindol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1-oxamoylindol-2-yl)-2-oxoacetamide
PubChem CID68855210
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name2-(1-oxamoylindol-2-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)c1cc2ccccc2n1C(=O)C(N)=O
InChIInChI=1S/C12H9N3O4/c13-10(17)9(16)8-5-6-3-1-2-4-7(6)15(8)12(19)11(14)18/h1-5H,(H2,13,17)(H2,14,18)
InChIKeyVWCRWTWPZYITPC-UHFFFAOYSA-N
XLogP-0.57
TPSA125.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxamoylindol-2-yl)-2-oxoacetamide?
The IUPAC name of 2-(1-oxamoylindol-2-yl)-2-oxoacetamide (CID 68855210) is 2-(1-oxamoylindol-2-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(1-oxamoylindol-2-yl)-2-oxoacetamide?
The canonical SMILES for 2-(1-oxamoylindol-2-yl)-2-oxoacetamide is NC(=O)C(=O)c1cc2ccccc2n1C(=O)C(N)=O.
What is the InChIKey of 2-(1-oxamoylindol-2-yl)-2-oxoacetamide?
The InChIKey is VWCRWTWPZYITPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c13-10(17)9(16)8-5-6-3-1-2-4-7(6)15(8)12(19)11(14)18/h1-5H,(H2,13,17)(H2,14,18).
What are the key properties of 2-(1-oxamoylindol-2-yl)-2-oxoacetamide?
2-(1-oxamoylindol-2-yl)-2-oxoacetamide has a molecular weight of 259.22 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxamoylindol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 68855210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).