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

C9H9BrN2O — CID 82190668

IUPAC7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one
SMILESNCc1cc(Br)cc2c1NC(=O)C2
InChIInChI=1S/C9H9BrN2O/c10-7-1-5-3-8(13)12-9(5)6(2-7)4-11/h1-2H,3-4,11H2,(H,12,13)
InChIKeyXPPJSTIQLOMDIB-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.40
Rot. Bonds1

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

7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one (PubChem CID 82190668) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one
PubChem CID82190668
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one
SMILESNCc1cc(Br)cc2c1NC(=O)C2
InChIInChI=1S/C9H9BrN2O/c10-7-1-5-3-8(13)12-9(5)6(2-7)4-11/h1-2H,3-4,11H2,(H,12,13)
InChIKeyXPPJSTIQLOMDIB-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-fluoro-1,3-dihydroindol-2-one
CID 82190628
5-(aminomethyl)-7-bromo-1,3-dihydroindol-2-one
CID 82190590
7-(2-aminoethyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190531
8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one
CID 82190811
5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one
CID 69465620
7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one
CID 82190651
7-ethyl-5-methyl-1,3-dihydroindol-2-one
CID 142337583
5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one
CID 134457828
7-(2-aminoethyl)-1,3-dihydroindol-2-one
CID 82410863
7-(2-aminopropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190534
5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one
CID 82190727
7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 117309426

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one?
The IUPAC name of 7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one (CID 82190668) is 7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one is NCc1cc(Br)cc2c1NC(=O)C2.
What is the InChIKey of 7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one?
The InChIKey is XPPJSTIQLOMDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-7-1-5-3-8(13)12-9(5)6(2-7)4-11/h1-2H,3-4,11H2,(H,12,13).
What are the key properties of 7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one?
7-(aminomethyl)-5-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 7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one is sourced from PubChem (CID 82190668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).