ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate

C13H13NO5 — CID 61354804

IUPACethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(=O)c2cc(OC)ccc21
InChIInChI=1S/C13H13NO5/c1-3-19-11(15)7-14-10-5-4-8(18-2)6-9(10)12(16)13(14)17/h4-6H,3,7H2,1-2H3
InChIKeyOPHNARYPXSBDFI-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.79
Rot. Bonds4

About ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate

ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate (PubChem CID 61354804) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate
PubChem CID61354804
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Nameethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(=O)c2cc(OC)ccc21
InChIInChI=1S/C13H13NO5/c1-3-19-11(15)7-14-10-5-4-8(18-2)6-9(10)12(16)13(14)17/h4-6H,3,7H2,1-2H3
InChIKeyOPHNARYPXSBDFI-UHFFFAOYSA-N
XLogP0.79
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355136
1-(3,3-dimethyl-2-oxobutyl)-5-methoxyindole-2,3-dione
CID 62023855
N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61485568
2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61355137
ethyl 2-(5,6-difluoro-2,3-dioxoindol-1-yl)acetate
CID 80746979
N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61356119
5-methoxy-1-(methoxymethyl)indole-2,3-dione
CID 129354242
1-heptyl-5-methoxyindole-2,3-dione
CID 61354808
1-(2-ethylsulfonylethyl)-5-methoxyindole-2,3-dione
CID 61355618
5-methoxy-1-(4-oxohexyl)indole-2,3-dione
CID 106801743
1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione
CID 62023854
trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63702848

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate?
The IUPAC name of ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate (CID 61354804) is ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate is CCOC(=O)CN1C(=O)C(=O)c2cc(OC)ccc21.
What is the InChIKey of ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate?
The InChIKey is OPHNARYPXSBDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-3-19-11(15)7-14-10-5-4-8(18-2)6-9(10)12(16)13(14)17/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate?
ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate has a molecular weight of 263.25 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 61354804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).