5-methoxy-7-methyl-1H-indole-2,3-dione

C10H9NO3 — CID 12634804

IUPAC5-methoxy-7-methyl-1H-indole-2,3-dione
SMILESCOc1cc(C)c2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C10H9NO3/c1-5-3-6(14-2)4-7-8(5)11-10(13)9(7)12/h3-4H,1-2H3,(H,11,12,13)
InChIKeyPROWQPRZTYDRFQ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.14
Rot. Bonds1

About 5-methoxy-7-methyl-1H-indole-2,3-dione

5-methoxy-7-methyl-1H-indole-2,3-dione (PubChem CID 12634804) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-methoxy-7-methyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-methoxy-7-methyl-1H-indole-2,3-dione
PubChem CID12634804
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name5-methoxy-7-methyl-1H-indole-2,3-dione
SMILESCOc1cc(C)c2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C10H9NO3/c1-5-3-6(14-2)4-7-8(5)11-10(13)9(7)12/h3-4H,1-2H3,(H,11,12,13)
InChIKeyPROWQPRZTYDRFQ-UHFFFAOYSA-N
XLogP1.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-1H-indole-2,3-dione?
The IUPAC name of 5-methoxy-7-methyl-1H-indole-2,3-dione (CID 12634804) is 5-methoxy-7-methyl-1H-indole-2,3-dione.
What is the SMILES notation for 5-methoxy-7-methyl-1H-indole-2,3-dione?
The canonical SMILES for 5-methoxy-7-methyl-1H-indole-2,3-dione is COc1cc(C)c2c(c1)C(=O)C(=O)N2.
What is the InChIKey of 5-methoxy-7-methyl-1H-indole-2,3-dione?
The InChIKey is PROWQPRZTYDRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-5-3-6(14-2)4-7-8(5)11-10(13)9(7)12/h3-4H,1-2H3,(H,11,12,13).
What are the key properties of 5-methoxy-7-methyl-1H-indole-2,3-dione?
5-methoxy-7-methyl-1H-indole-2,3-dione has a molecular weight of 191.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-1H-indole-2,3-dione is sourced from PubChem (CID 12634804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).