5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione

C14H15BrN2O2 — CID 79336319

IUPAC5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione
SMILESCC1CN(c2cc3c(cc2Br)C(=O)C(=O)N3)CC1C
InChIInChI=1S/C14H15BrN2O2/c1-7-5-17(6-8(7)2)12-4-11-9(3-10(12)15)13(18)14(19)16-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,18,19)
InChIKeyFZAYQGCNGCHFID-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.68
Rot. Bonds1

About 5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione

5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione (PubChem CID 79336319) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione
PubChem CID79336319
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione
SMILESCC1CN(c2cc3c(cc2Br)C(=O)C(=O)N3)CC1C
InChIInChI=1S/C14H15BrN2O2/c1-7-5-17(6-8(7)2)12-4-11-9(3-10(12)15)13(18)14(19)16-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,18,19)
InChIKeyFZAYQGCNGCHFID-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione
CID 81452606
5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione
CID 106836223
5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione
CID 103356460
5-bromo-6-(4-ethylazepan-1-yl)-1H-indole-2,3-dione
CID 79343459
5-bromo-6-(4-hydroxy-4-methylazepan-1-yl)-1H-indole-2,3-dione
CID 107404952
5-bromo-6-(3-oxo-1,4-diazepan-1-yl)-1H-indole-2,3-dione
CID 79335904
5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione
CID 104958978
5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione
CID 79343448
5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79342117
5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione
CID 79336164
5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione
CID 80747278
6-bromo-5-fluoro-1H-indole-2,3-dione
CID 67517039

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione?
The IUPAC name of 5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione (CID 79336319) is 5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione?
The canonical SMILES for 5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione is CC1CN(c2cc3c(cc2Br)C(=O)C(=O)N3)CC1C.
What is the InChIKey of 5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione?
The InChIKey is FZAYQGCNGCHFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-7-5-17(6-8(7)2)12-4-11-9(3-10(12)15)13(18)14(19)16-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,18,19).
What are the key properties of 5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione?
5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione has a molecular weight of 323.19 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione is sourced from PubChem (CID 79336319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).