4,7-dimethyl-1H-indole-2,3-dione

C10H9NO2 — CID 3264931

IUPAC4,7-dimethyl-1H-indole-2,3-dione
SMILESCc1ccc(C)c2c1NC(=O)C2=O
InChIInChI=1S/C10H9NO2/c1-5-3-4-6(2)8-7(5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13)
InChIKeyVYRDPBOVRAVNKT-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.44
Rot. Bonds

About 4,7-dimethyl-1H-indole-2,3-dione

4,7-dimethyl-1H-indole-2,3-dione (PubChem CID 3264931) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4,7-dimethyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name4,7-dimethyl-1H-indole-2,3-dione
PubChem CID3264931
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4,7-dimethyl-1H-indole-2,3-dione
SMILESCc1ccc(C)c2c1NC(=O)C2=O
InChIInChI=1S/C10H9NO2/c1-5-3-4-6(2)8-7(5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13)
InChIKeyVYRDPBOVRAVNKT-UHFFFAOYSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
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 4,7-dimethyl-1H-indole-2,3-dione?
The IUPAC name of 4,7-dimethyl-1H-indole-2,3-dione (CID 3264931) is 4,7-dimethyl-1H-indole-2,3-dione.
What is the SMILES notation for 4,7-dimethyl-1H-indole-2,3-dione?
The canonical SMILES for 4,7-dimethyl-1H-indole-2,3-dione is Cc1ccc(C)c2c1NC(=O)C2=O.
What is the InChIKey of 4,7-dimethyl-1H-indole-2,3-dione?
The InChIKey is VYRDPBOVRAVNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-5-3-4-6(2)8-7(5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13).
What are the key properties of 4,7-dimethyl-1H-indole-2,3-dione?
4,7-dimethyl-1H-indole-2,3-dione has a molecular weight of 175.19 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1H-indole-2,3-dione is sourced from PubChem (CID 3264931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).