1,5,7-trimethylindole-2,3-dione

C11H11NO2 — CID 12634805

IUPAC1,5,7-trimethylindole-2,3-dione
SMILESCc1cc(C)c2c(c1)C(=O)C(=O)N2C
InChIInChI=1S/C11H11NO2/c1-6-4-7(2)9-8(5-6)10(13)11(14)12(9)3/h4-5H,1-3H3
InChIKeyUKVQDVYHOSCQFJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.46
Rot. Bonds

About 1,5,7-trimethylindole-2,3-dione

1,5,7-trimethylindole-2,3-dione (PubChem CID 12634805) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1,5,7-trimethylindole-2,3-dione.

Molecular Properties

Compound Name1,5,7-trimethylindole-2,3-dione
PubChem CID12634805
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1,5,7-trimethylindole-2,3-dione
SMILESCc1cc(C)c2c(c1)C(=O)C(=O)N2C
InChIInChI=1S/C11H11NO2/c1-6-4-7(2)9-8(5-6)10(13)11(14)12(9)3/h4-5H,1-3H3
InChIKeyUKVQDVYHOSCQFJ-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,5,7-trimethylindole-2,3-dione?
The IUPAC name of 1,5,7-trimethylindole-2,3-dione (CID 12634805) is 1,5,7-trimethylindole-2,3-dione.
What is the SMILES notation for 1,5,7-trimethylindole-2,3-dione?
The canonical SMILES for 1,5,7-trimethylindole-2,3-dione is Cc1cc(C)c2c(c1)C(=O)C(=O)N2C.
What is the InChIKey of 1,5,7-trimethylindole-2,3-dione?
The InChIKey is UKVQDVYHOSCQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-6-4-7(2)9-8(5-6)10(13)11(14)12(9)3/h4-5H,1-3H3.
What are the key properties of 1,5,7-trimethylindole-2,3-dione?
1,5,7-trimethylindole-2,3-dione has a molecular weight of 189.21 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethylindole-2,3-dione is sourced from PubChem (CID 12634805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).