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

C14H11BrN2O2 — CID 11688308

IUPAC3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCCc1[nH]c2ccccc2c1C1=C(Br)C(=O)NC1=O
InChIInChI=1S/C14H11BrN2O2/c1-2-8-10(7-5-3-4-6-9(7)16-8)11-12(15)14(19)17-13(11)18/h3-6,16H,2H2,1H3,(H,17,18,19)
InChIKeyISCXTZMUQIRFCT-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.49
Rot. Bonds2

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

3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 11688308) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID11688308
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCCc1[nH]c2ccccc2c1C1=C(Br)C(=O)NC1=O
InChIInChI=1S/C14H11BrN2O2/c1-2-8-10(7-5-3-4-6-9(7)16-8)11-12(15)14(19)17-13(11)18/h3-6,16H,2H2,1H3,(H,17,18,19)
InChIKeyISCXTZMUQIRFCT-UHFFFAOYSA-N
XLogP2.49
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.49
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-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11522357
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
3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione
CID 102042854
3-[2-[[3-(aminomethyl)phenyl]methyl]-1H-indol-3-yl]-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 70345134
2,3-diethyl-1H-indole;hydrate
CID 70606554
2-ethyl-3-(trifluoromethyl)-1H-indole
CID 147285687
3-[2-[[3-(aminomethyl)phenyl]methyl]-1H-indol-3-yl]-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 70345286
bis(9H-carbazole);propane
CID 90987002
3-ethyl-2-propyl-1H-indole
CID 65335384
3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11596060
2-benzyl-3-ethyl-1H-quinolin-4-one
CID 131850781

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione (CID 11688308) is 3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione is CCc1[nH]c2ccccc2c1C1=C(Br)C(=O)NC1=O.
What is the InChIKey of 3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is ISCXTZMUQIRFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c1-2-8-10(7-5-3-4-6-9(7)16-8)11-12(15)14(19)17-13(11)18/h3-6,16H,2H2,1H3,(H,17,18,19).
What are the key properties of 3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione?
3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 319.16 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 11688308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).