5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione

C13H13BrN2O3 — CID 103356460

IUPAC5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione
SMILESCC1(O)CCN(c2cc3c(cc2Br)C(=O)C(=O)N3)C1
InChIInChI=1S/C13H13BrN2O3/c1-13(19)2-3-16(6-13)10-5-9-7(4-8(10)14)11(17)12(18)15-9/h4-5,19H,2-3,6H2,1H3,(H,15,17,18)
InChIKeySDLFQAORYLDUMN-UHFFFAOYSA-N
MW325.16 g/mol
LogP1.54
Rot. Bonds1

About 5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione

5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione (PubChem CID 103356460) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione
PubChem CID103356460
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione
SMILESCC1(O)CCN(c2cc3c(cc2Br)C(=O)C(=O)N3)C1
InChIInChI=1S/C13H13BrN2O3/c1-13(19)2-3-16(6-13)10-5-9-7(4-8(10)14)11(17)12(18)15-9/h4-5,19H,2-3,6H2,1H3,(H,15,17,18)
InChIKeySDLFQAORYLDUMN-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-(4-hydroxy-4-methylazepan-1-yl)-1H-indole-2,3-dione
CID 107404952
5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione
CID 79336319
5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione
CID 106836223
5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione
CID 79343448
5-bromo-6-(3-oxo-1,4-diazepan-1-yl)-1H-indole-2,3-dione
CID 79335904
5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione
CID 81452606
5-chloro-6-(4,4-dimethylazepan-1-yl)-1H-indole-2,3-dione
CID 79342974
1-[4-(aminomethyl)-2-bromophenyl]-3-methylpyrrolidin-3-ol
CID 103355326
4-bromo-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzaldehyde
CID 103356567
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylbenzoic acid
CID 103356422
6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione
CID 80747271
5-chloro-6-(3-oxopiperazin-1-yl)-1H-indole-2,3-dione
CID 79336846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione?
The IUPAC name of 5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione (CID 103356460) is 5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione?
The canonical SMILES for 5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione is CC1(O)CCN(c2cc3c(cc2Br)C(=O)C(=O)N3)C1.
What is the InChIKey of 5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione?
The InChIKey is SDLFQAORYLDUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-13(19)2-3-16(6-13)10-5-9-7(4-8(10)14)11(17)12(18)15-9/h4-5,19H,2-3,6H2,1H3,(H,15,17,18).
What are the key properties of 5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione?
5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione has a molecular weight of 325.16 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione is sourced from PubChem (CID 103356460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).