Ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate

Name: Ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₅NO₄ — CID 117065700

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate

SMILESCCOC(=O)C1(O)C(=O)Nc2cc(CC)ccc21

InChIInChI=1S/C13H15NO4/c1-3-8-5-6-9-10(7-8)14-11(15)13(9,17)12(16)18-4-2/h5-7,17H,3-4H2,1-2H3,(H,14,15)

InChIKeyHXALZGWZHRRVKG-UHFFFAOYSA-N

MW249.27 g/mol

LogP0.95

Rot. Bonds3

About Ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate

Ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate (PubChem CID 117065700) has the molecular formula C₁₃H₁₅NO₄ and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate.

Molecular Properties

Compound Name	Ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate
PubChem CID	117065700
Molecular Formula	C₁₃H₁₅NO₄
Molecular Weight	249.27 g/mol
Exact Mass	249.10
IUPAC Name	ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate
SMILES	CCOC(=O)C1(O)C(=O)Nc2cc(CC)ccc21
InChI	InChI=1S/C13H15NO4/c1-3-8-5-6-9-10(7-8)14-11(15)13(9,17)12(16)18-4-2/h5-7,17H,3-4H2,1-2H3,(H,14,15)
InChIKey	HXALZGWZHRRVKG-UHFFFAOYSA-N
XLogP	0.95
TPSA	75.63 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	249.27
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate?

The IUPAC name of Ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate (CID 117065700) is ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate.

What is the SMILES notation for Ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate?

The canonical SMILES for Ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate is CCOC(=O)C1(O)C(=O)Nc2cc(CC)ccc21.

What is the InChIKey of Ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate?

The InChIKey is HXALZGWZHRRVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-3-8-5-6-9-10(7-8)14-11(15)13(9,17)12(16)18-4-2/h5-7,17H,3-4H2,1-2H3,(H,14,15).

What are the key properties of Ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate?

Ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 6-ethyl-3-hydroxy-2-oxo-1H-indole-3-carboxylate is sourced from PubChem (CID 117065700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 117065700 — identifiers, structure, computed properties (public domain)

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