3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione

C13H9BrN2O2 — CID 11522357

IUPAC3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCc1[nH]c2ccccc2c1C1=C(Br)C(=O)NC1=O
InChIInChI=1S/C13H9BrN2O2/c1-6-9(7-4-2-3-5-8(7)15-6)10-11(14)13(18)16-12(10)17/h2-5,15H,1H3,(H,16,17,18)
InChIKeyWCWIIIUZHZNLRZ-UHFFFAOYSA-N
MW305.13 g/mol
LogP2.24
Rot. Bonds1

About 3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione

3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 11522357) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID11522357
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCc1[nH]c2ccccc2c1C1=C(Br)C(=O)NC1=O
InChIInChI=1S/C13H9BrN2O2/c1-6-9(7-4-2-3-5-8(7)15-6)10-11(14)13(18)16-12(10)17/h2-5,15H,1H3,(H,16,17,18)
InChIKeyWCWIIIUZHZNLRZ-UHFFFAOYSA-N
XLogP2.24
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11688308
3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione
CID 102042854
7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide
CID 11634846
6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide
CID 11576849
4-(2,6-dimethylphenyl)-5-(2-methyl-1H-indol-3-yl)cyclopent-4-ene-1,3-dione
CID 149323151
3-[2-[[3-(aminomethyl)phenyl]methyl]-1H-indol-3-yl]-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 70345134
1-methyl-3-(2-methyl-1H-indol-3-yl)-4-thiophen-3-ylpyrrole-2,5-dione
CID 24813898
6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900687
3,4-bis(2-methyl-6-nitro-1H-indol-3-yl)pyrrole-2,5-dione
CID 90957903
3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11596060
3-(2-methyl-1H-indol-3-yl)-2H-furan-5-one
CID 135044283
2-methyl-3-(1-methylpyrrol-3-yl)-1H-indole
CID 175789858

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione (CID 11522357) is 3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione is Cc1[nH]c2ccccc2c1C1=C(Br)C(=O)NC1=O.
What is the InChIKey of 3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is WCWIIIUZHZNLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c1-6-9(7-4-2-3-5-8(7)15-6)10-11(14)13(18)16-12(10)17/h2-5,15H,1H3,(H,16,17,18).
What are the key properties of 3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione?
3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 305.13 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 11522357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).