5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one

C9H9BrN2O — CID 82190590

IUPAC5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one
SMILESNCc1cc(Br)c2c(c1)CC(=O)N2
InChIInChI=1S/C9H9BrN2O/c10-7-2-5(4-11)1-6-3-8(13)12-9(6)7/h1-2H,3-4,11H2,(H,12,13)
InChIKeyIXZOUXNUHOFZJE-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.40
Rot. Bonds1

About 5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one

5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one (PubChem CID 82190590) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one
PubChem CID82190590
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one
SMILESNCc1cc(Br)c2c(c1)CC(=O)N2
InChIInChI=1S/C9H9BrN2O/c10-7-2-5(4-11)1-6-3-8(13)12-9(6)7/h1-2H,3-4,11H2,(H,12,13)
InChIKeyIXZOUXNUHOFZJE-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one
CID 82190668
7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 82190628
7-(2-aminoethyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190531
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 84779277
7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one
CID 69468406
5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one
CID 69465620
6-bromo-7-methyl-1,3-dihydroindol-2-one
CID 53404463
7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one
CID 82190651
7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one
CID 117416069
7-ethyl-5-methyl-1,3-dihydroindol-2-one
CID 142337583
7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one
CID 117318863

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one?
The IUPAC name of 5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one (CID 82190590) is 5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one is NCc1cc(Br)c2c(c1)CC(=O)N2.
What is the InChIKey of 5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one?
The InChIKey is IXZOUXNUHOFZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-7-2-5(4-11)1-6-3-8(13)12-9(6)7/h1-2H,3-4,11H2,(H,12,13).
What are the key properties of 5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one?
5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one has a molecular weight of 241.09 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one is sourced from PubChem (CID 82190590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).