6-bromo-1-methylindole-2,3-dione;ethane

C13H18BrNO2 — CID 144702232

IUPAC6-bromo-1-methylindole-2,3-dione;ethane
SMILESCC.CC.CN1C(=O)C(=O)c2ccc(Br)cc21
InChIInChI=1S/C9H6BrNO2.2C2H6/c1-11-7-4-5(10)2-3-6(7)8(12)9(11)13;2*1-2/h2-4H,1H3;2*1-2H3
InChIKeyMWTKABMSZSQYDO-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.66
Rot. Bonds

About 6-bromo-1-methylindole-2,3-dione;ethane

6-bromo-1-methylindole-2,3-dione;ethane (PubChem CID 144702232) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 6-bromo-1-methylindole-2,3-dione;ethane.

Molecular Properties

Compound Name6-bromo-1-methylindole-2,3-dione;ethane
PubChem CID144702232
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name6-bromo-1-methylindole-2,3-dione;ethane
SMILESCC.CC.CN1C(=O)C(=O)c2ccc(Br)cc21
InChIInChI=1S/C9H6BrNO2.2C2H6/c1-11-7-4-5(10)2-3-6(7)8(12)9(11)13;2*1-2/h2-4H,1H3;2*1-2H3
InChIKeyMWTKABMSZSQYDO-UHFFFAOYSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-1-methylindole-2,3-dione;ethane 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

6-bromo-1-methylindole-2,3-dione;ethane
CID 144701236
6-bromo-1-(4-methylpentyl)indole-2,3-dione
CID 83158009
6-bromo-1-(2-tert-butylsulfonylethyl)indole-2,3-dione
CID 106726046
6-bromo-1-but-2-ynylindole-2,3-dione
CID 62309363
6-(3,4-dihydroxypyrrolidin-1-yl)-1-methylindole-2,3-dione
CID 106669917
6-bromo-1-[2-(bromomethyl)pentyl]indole-2,3-dione
CID 65010965
4-(6-bromo-2,3-dioxoindol-1-yl)butanoic acid
CID 18072187
6-[3-(dimethylamino)propyl-methylamino]-1-methylindole-2,3-dione
CID 81309496
1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione
CID 81309049
6-bromo-1-(cyclobutylmethyl)indole-2,3-dione
CID 65459439
1-methyl-6-pyrimidin-2-ylsulfanylindole-2,3-dione
CID 81309056
6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione
CID 63774946

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methylindole-2,3-dione;ethane?
The IUPAC name of 6-bromo-1-methylindole-2,3-dione;ethane (CID 144702232) is 6-bromo-1-methylindole-2,3-dione;ethane.
What is the SMILES notation for 6-bromo-1-methylindole-2,3-dione;ethane?
The canonical SMILES for 6-bromo-1-methylindole-2,3-dione;ethane is CC.CC.CN1C(=O)C(=O)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-methylindole-2,3-dione;ethane?
The InChIKey is MWTKABMSZSQYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2.2C2H6/c1-11-7-4-5(10)2-3-6(7)8(12)9(11)13;2*1-2/h2-4H,1H3;2*1-2H3.
What are the key properties of 6-bromo-1-methylindole-2,3-dione;ethane?
6-bromo-1-methylindole-2,3-dione;ethane has a molecular weight of 300.20 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methylindole-2,3-dione;ethane is sourced from PubChem (CID 144702232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).