3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide

C12H12N2O3 — CID 68531241

IUPAC3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide
SMILESCOC(C)=C1C(=O)Nc2cc(C(N)=O)ccc21
InChIInChI=1S/C12H12N2O3/c1-6(17-2)10-8-4-3-7(11(13)15)5-9(8)14-12(10)16/h3-5H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyCGEBWRUDIUVNPM-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.12
Rot. Bonds2

About 3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide

3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide (PubChem CID 68531241) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide
PubChem CID68531241
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide
SMILESCOC(C)=C1C(=O)Nc2cc(C(N)=O)ccc21
InChIInChI=1S/C12H12N2O3/c1-6(17-2)10-8-4-3-7(11(13)15)5-9(8)14-12(10)16/h3-5H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyCGEBWRUDIUVNPM-UHFFFAOYSA-N
XLogP1.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide?
The IUPAC name of 3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide (CID 68531241) is 3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide.
What is the SMILES notation for 3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide?
The canonical SMILES for 3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide is COC(C)=C1C(=O)Nc2cc(C(N)=O)ccc21.
What is the InChIKey of 3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide?
The InChIKey is CGEBWRUDIUVNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-6(17-2)10-8-4-3-7(11(13)15)5-9(8)14-12(10)16/h3-5H,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide?
3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide is sourced from PubChem (CID 68531241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).