5-methoxy-1-(methoxymethyl)indole-2,3-dione

C11H11NO4 — CID 129354242

IUPAC5-methoxy-1-(methoxymethyl)indole-2,3-dione
SMILESCOCN1C(=O)C(=O)c2cc(OC)ccc21
InChIInChI=1S/C11H11NO4/c1-15-6-12-9-4-3-7(16-2)5-8(9)10(13)11(12)14/h3-5H,6H2,1-2H3
InChIKeyDRVLYTFZIHTTSF-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.83
Rot. Bonds3

About 5-methoxy-1-(methoxymethyl)indole-2,3-dione

5-methoxy-1-(methoxymethyl)indole-2,3-dione (PubChem CID 129354242) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 5-methoxy-1-(methoxymethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-methoxy-1-(methoxymethyl)indole-2,3-dione
PubChem CID129354242
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5-methoxy-1-(methoxymethyl)indole-2,3-dione
SMILESCOCN1C(=O)C(=O)c2cc(OC)ccc21
InChIInChI=1S/C11H11NO4/c1-15-6-12-9-4-3-7(16-2)5-8(9)10(13)11(12)14/h3-5H,6H2,1-2H3
InChIKeyDRVLYTFZIHTTSF-UHFFFAOYSA-N
XLogP0.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylsulfonylethyl)-5-methoxyindole-2,3-dione
CID 61355618
trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63702848
5-methoxy-1-(3-methylsulfonylpropyl)indole-2,3-dione
CID 63191796
1-but-2-ynyl-5-methoxyindole-2,3-dione
CID 55057460
1-heptyl-5-methoxyindole-2,3-dione
CID 61354808
1-(3,3-dimethyl-2-oxobutyl)-5-methoxyindole-2,3-dione
CID 62023855
5-methoxy-1-(2-phenylethyl)indole-2,3-dione
CID 61355458
ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate
CID 61354804
4-(5-methoxy-2,3-dioxoindol-1-yl)butanenitrile
CID 61356270
N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61485568
5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione
CID 61356112
N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355136

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(methoxymethyl)indole-2,3-dione?
The IUPAC name of 5-methoxy-1-(methoxymethyl)indole-2,3-dione (CID 129354242) is 5-methoxy-1-(methoxymethyl)indole-2,3-dione.
What is the SMILES notation for 5-methoxy-1-(methoxymethyl)indole-2,3-dione?
The canonical SMILES for 5-methoxy-1-(methoxymethyl)indole-2,3-dione is COCN1C(=O)C(=O)c2cc(OC)ccc21.
What is the InChIKey of 5-methoxy-1-(methoxymethyl)indole-2,3-dione?
The InChIKey is DRVLYTFZIHTTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-6-12-9-4-3-7(16-2)5-8(9)10(13)11(12)14/h3-5H,6H2,1-2H3.
What are the key properties of 5-methoxy-1-(methoxymethyl)indole-2,3-dione?
5-methoxy-1-(methoxymethyl)indole-2,3-dione has a molecular weight of 221.21 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(methoxymethyl)indole-2,3-dione is sourced from PubChem (CID 129354242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).