5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one

C12H8Br2N2O — CID 102276841

IUPAC5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(Br)cc(Br)cc2C1n1cccc1
InChIInChI=1S/C12H8Br2N2O/c13-7-5-8-10(9(14)6-7)15-12(17)11(8)16-3-1-2-4-16/h1-6,11H,(H,15,17)
InChIKeyARNKZVCTQUHKJR-UHFFFAOYSA-N
MW356.02 g/mol
LogP3.55
Rot. Bonds1

About 5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one

5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one (PubChem CID 102276841) has the molecular formula C12H8Br2N2O and a molecular weight of 356.02 g/mol. Its IUPAC name is 5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one
PubChem CID102276841
Molecular FormulaC12H8Br2N2O
Molecular Weight356.02 g/mol
Exact Mass353.90
IUPAC Name5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(Br)cc(Br)cc2C1n1cccc1
InChIInChI=1S/C12H8Br2N2O/c13-7-5-8-10(9(14)6-7)15-12(17)11(8)16-3-1-2-4-16/h1-6,11H,(H,15,17)
InChIKeyARNKZVCTQUHKJR-UHFFFAOYSA-N
XLogP3.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.02
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-dibromo-3-(2-methyl-3-naphthalen-2-yl-1H-inden-1-yl)-1,3-dihydroindol-2-one
CID 70008434
3-(1-adamantyl)-7-bromo-1,3-dihydroindol-2-one
CID 106986661
5,7-dibromo-3-[2-[(1,4-dihydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one
CID 69432182
(3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one
CID 7708052
5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one
CID 82190601
7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one
CID 171783469
7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986588
4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one
CID 61470172
methyl 5-bromo-7-ethyl-2-oxo-1,3-dihydroindole-3-carboxylate
CID 165485856
3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one
CID 43130809
7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 106986994
3-(4-aminopiperidin-1-yl)-6-bromo-1,3-dihydroindol-2-one
CID 43130847

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one?
The IUPAC name of 5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one (CID 102276841) is 5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one is O=C1Nc2c(Br)cc(Br)cc2C1n1cccc1.
What is the InChIKey of 5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one?
The InChIKey is ARNKZVCTQUHKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O/c13-7-5-8-10(9(14)6-7)15-12(17)11(8)16-3-1-2-4-16/h1-6,11H,(H,15,17).
What are the key properties of 5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one?
5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one has a molecular weight of 356.02 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 102276841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).