1-methyl-2,3-dioxoindole-5-carboxamide

C10H8N2O3 — CID 515954

IUPAC1-methyl-2,3-dioxoindole-5-carboxamide
SMILESCN1C(=O)C(=O)c2cc(C(N)=O)ccc21
InChIInChI=1S/C10H8N2O3/c1-12-7-3-2-5(9(11)14)4-6(7)8(13)10(12)15/h2-4H,1H3,(H2,11,14)
InChIKeyQUFAZQGZSQBRME-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.06
Rot. Bonds1

About 1-methyl-2,3-dioxoindole-5-carboxamide

1-methyl-2,3-dioxoindole-5-carboxamide (PubChem CID 515954) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-methyl-2,3-dioxoindole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2,3-dioxoindole-5-carboxamide
PubChem CID515954
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name1-methyl-2,3-dioxoindole-5-carboxamide
SMILESCN1C(=O)C(=O)c2cc(C(N)=O)ccc21
InChIInChI=1S/C10H8N2O3/c1-12-7-3-2-5(9(11)14)4-6(7)8(13)10(12)15/h2-4H,1H3,(H2,11,14)
InChIKeyQUFAZQGZSQBRME-UHFFFAOYSA-N
XLogP-0.06
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-methyl-2,3-dioxoindole-5-carboxamide?
The IUPAC name of 1-methyl-2,3-dioxoindole-5-carboxamide (CID 515954) is 1-methyl-2,3-dioxoindole-5-carboxamide.
What is the SMILES notation for 1-methyl-2,3-dioxoindole-5-carboxamide?
The canonical SMILES for 1-methyl-2,3-dioxoindole-5-carboxamide is CN1C(=O)C(=O)c2cc(C(N)=O)ccc21.
What is the InChIKey of 1-methyl-2,3-dioxoindole-5-carboxamide?
The InChIKey is QUFAZQGZSQBRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-12-7-3-2-5(9(11)14)4-6(7)8(13)10(12)15/h2-4H,1H3,(H2,11,14).
What are the key properties of 1-methyl-2,3-dioxoindole-5-carboxamide?
1-methyl-2,3-dioxoindole-5-carboxamide has a molecular weight of 204.19 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dioxoindole-5-carboxamide is sourced from PubChem (CID 515954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).