5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione

C15H17ClN2O2 — CID 79336233

IUPAC5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione
SMILESCC(C)C1CCCN1c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C15H17ClN2O2/c1-8(2)12-4-3-5-18(12)13-7-11-9(6-10(13)16)14(19)15(20)17-11/h6-8,12H,3-5H2,1-2H3,(H,17,19,20)
InChIKeyIBUBBHSFGNQMNK-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.10
Rot. Bonds2

About 5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione

5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione (PubChem CID 79336233) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione
PubChem CID79336233
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione
SMILESCC(C)C1CCCN1c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C15H17ClN2O2/c1-8(2)12-4-3-5-18(12)13-7-11-9(6-10(13)16)14(19)15(20)17-11/h6-8,12H,3-5H2,1-2H3,(H,17,19,20)
InChIKeyIBUBBHSFGNQMNK-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.10
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-chloro-6-(2-ethylpiperidin-1-yl)-1H-indole-2,3-dione
CID 79336366
5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione
CID 79336164
5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione
CID 79335956
5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione
CID 79342976
5-chloro-6-(4,4-dimethylazepan-1-yl)-1H-indole-2,3-dione
CID 79342974
5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione
CID 104958978
5-fluoro-6-(4-propan-2-ylpiperidin-1-yl)-1H-indole-2,3-dione
CID 103496641
5-chloro-6-(3-oxopiperazin-1-yl)-1H-indole-2,3-dione
CID 79336846
2-[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 81165721
5-chloro-6-(3-methylbutan-2-ylsulfanyl)-1H-indole-2,3-dione
CID 107750447
N-[[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 81149874
5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione
CID 106836223

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione (CID 79336233) is 5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione is CC(C)C1CCCN1c1cc2c(cc1Cl)C(=O)C(=O)N2.
What is the InChIKey of 5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione?
The InChIKey is IBUBBHSFGNQMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-8(2)12-4-3-5-18(12)13-7-11-9(6-10(13)16)14(19)15(20)17-11/h6-8,12H,3-5H2,1-2H3,(H,17,19,20).
What are the key properties of 5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione?
5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione has a molecular weight of 292.77 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione is sourced from PubChem (CID 79336233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).