5-methoxy-1-methylindole-2,3-dione

C10H9NO3 — CID 3981211

IUPAC5-methoxy-1-methylindole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2C
InChIInChI=1S/C10H9NO3/c1-11-8-4-3-6(14-2)5-7(8)9(12)10(11)13/h3-5H,1-2H3
InChIKeyCZRPSRARMQINMA-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.85
Rot. Bonds1

About 5-methoxy-1-methylindole-2,3-dione

5-methoxy-1-methylindole-2,3-dione (PubChem CID 3981211) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-methoxy-1-methylindole-2,3-dione.

Molecular Properties

Compound Name5-methoxy-1-methylindole-2,3-dione
PubChem CID3981211
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name5-methoxy-1-methylindole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2C
InChIInChI=1S/C10H9NO3/c1-11-8-4-3-6(14-2)5-7(8)9(12)10(11)13/h3-5H,1-2H3
InChIKeyCZRPSRARMQINMA-UHFFFAOYSA-N
XLogP0.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxy-1-methylindole-2,3-dione 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

N1-acetyl-N2-formyl-5-methoxykynuramine
CID 171161
1-((4-Methoxyphenyl)methyl)-5-(trifluoromethoxy)-1H-indole-2,3-dione
CID 42633508
1-(2-Phenoxyethyl)-5-(trifluoromethoxy)indoline-2,3-dione
CID 57525860
6-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 622180
5-Methoxyisatin
CID 38333
5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione
CID 2732752
2-(4-Methoxy-phenyl)-2,3-dihydro-isoindol-1-one
CID 829359
8-Methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CID 2926974
1-(4-Phenoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione
CID 44602489
5-Benzyloxyisatin
CID 16792980
1-[(4-Phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 45281794
8-Ethoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CID 1999089

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methylindole-2,3-dione?
The IUPAC name of 5-methoxy-1-methylindole-2,3-dione (CID 3981211) is 5-methoxy-1-methylindole-2,3-dione.
What is the SMILES notation for 5-methoxy-1-methylindole-2,3-dione?
The canonical SMILES for 5-methoxy-1-methylindole-2,3-dione is COc1ccc2c(c1)C(=O)C(=O)N2C.
What is the InChIKey of 5-methoxy-1-methylindole-2,3-dione?
The InChIKey is CZRPSRARMQINMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-11-8-4-3-6(14-2)5-7(8)9(12)10(11)13/h3-5H,1-2H3.
What are the key properties of 5-methoxy-1-methylindole-2,3-dione?
5-methoxy-1-methylindole-2,3-dione has a molecular weight of 191.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methylindole-2,3-dione is sourced from PubChem (CID 3981211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).