4-bromo-1,3-dihydroindol-2-one

C8H6BrNO — CID 2763190

IUPAC4-bromo-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(Br)cccc2N1
InChIInChI=1S/C8H6BrNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKeyXQQPPAZTHUEMPF-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.94
Rot. Bonds

About 4-bromo-1,3-dihydroindol-2-one

4-bromo-1,3-dihydroindol-2-one (PubChem CID 2763190) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 4-bromo-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-bromo-1,3-dihydroindol-2-one
PubChem CID2763190
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name4-bromo-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(Br)cccc2N1
InChIInChI=1S/C8H6BrNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKeyXQQPPAZTHUEMPF-UHFFFAOYSA-N
XLogP1.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Oxindole
CID 321710
5-fluoro-1,3-dihydro-2H-indol-2-one
CID 3731012
3-Methyloxindole
CID 150923
6-bromo-2,3-dihydro-1H-indol-2-one
CID 2773289
3-(4-Bromo-phenylimino)-1,3-dihydro-indol-2-one
CID 135411933
(3E)-3-(3-methylbut-2-enylidene)-1H-indol-2-one
CID 5319526
5-Bromo-2-oxindole
CID 611193
1H-Indole-2,3-dione, 6-bromo-
CID 95716
3-Ethylideneindolin-2-one
CID 12331358
4-Bromo-5-methylisatin
CID 611204
6-fluoro-2,3-dihydro-1H-indol-2-one
CID 3731013
3-(propan-2-yl)-2,3-dihydro-1H-indol-2-one
CID 4461489

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-dihydroindol-2-one?
The IUPAC name of 4-bromo-1,3-dihydroindol-2-one (CID 2763190) is 4-bromo-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-bromo-1,3-dihydroindol-2-one?
The canonical SMILES for 4-bromo-1,3-dihydroindol-2-one is O=C1Cc2c(Br)cccc2N1.
What is the InChIKey of 4-bromo-1,3-dihydroindol-2-one?
The InChIKey is XQQPPAZTHUEMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11).
What are the key properties of 4-bromo-1,3-dihydroindol-2-one?
4-bromo-1,3-dihydroindol-2-one has a molecular weight of 212.05 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-dihydroindol-2-one is sourced from PubChem (CID 2763190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).