2-(2-aminoethyl)-4-bromoisoindole-1,3-dione

C10H9BrN2O2 — CID 117031724

IUPAC2-(2-aminoethyl)-4-bromoisoindole-1,3-dione
SMILESNCCN1C(=O)c2cccc(Br)c2C1=O
InChIInChI=1S/C10H9BrN2O2/c11-7-3-1-2-6-8(7)10(15)13(5-4-12)9(6)14/h1-3H,4-5,12H2
InChIKeyQFGVPGANYZOLGI-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.00
Rot. Bonds2

About 2-(2-aminoethyl)-4-bromoisoindole-1,3-dione

2-(2-aminoethyl)-4-bromoisoindole-1,3-dione (PubChem CID 117031724) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-bromoisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-bromoisoindole-1,3-dione
PubChem CID117031724
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name2-(2-aminoethyl)-4-bromoisoindole-1,3-dione
SMILESNCCN1C(=O)c2cccc(Br)c2C1=O
InChIInChI=1S/C10H9BrN2O2/c11-7-3-1-2-6-8(7)10(15)13(5-4-12)9(6)14/h1-3H,4-5,12H2
InChIKeyQFGVPGANYZOLGI-UHFFFAOYSA-N
XLogP1.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione
CID 117031725
2-(2-aminopropyl)-4-bromoisoindole-1,3-dione
CID 117031727
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849
4-bromo-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 175366961
2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione
CID 103429602
1-(2-aminoethyl)-7-bromo-3H-indol-2-one
CID 83760729
1-(2-aminoethyl)-7-fluoroindole-2,3-dione
CID 84621035
2-(4-aminobutyl)benzo[de]isoquinoline-1,3-dione
CID 11623143
5-amino-2-(2-aminoethyl)isoindole-1,3-dione
CID 82506823
4-amino-2-(3-methoxypropyl)isoindole-1,3-dione
CID 43153305
4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione
CID 2836357
4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 19363369

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-bromoisoindole-1,3-dione?
The IUPAC name of 2-(2-aminoethyl)-4-bromoisoindole-1,3-dione (CID 117031724) is 2-(2-aminoethyl)-4-bromoisoindole-1,3-dione.
What is the SMILES notation for 2-(2-aminoethyl)-4-bromoisoindole-1,3-dione?
The canonical SMILES for 2-(2-aminoethyl)-4-bromoisoindole-1,3-dione is NCCN1C(=O)c2cccc(Br)c2C1=O.
What is the InChIKey of 2-(2-aminoethyl)-4-bromoisoindole-1,3-dione?
The InChIKey is QFGVPGANYZOLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-7-3-1-2-6-8(7)10(15)13(5-4-12)9(6)14/h1-3H,4-5,12H2.
What are the key properties of 2-(2-aminoethyl)-4-bromoisoindole-1,3-dione?
2-(2-aminoethyl)-4-bromoisoindole-1,3-dione has a molecular weight of 269.10 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-bromoisoindole-1,3-dione is sourced from PubChem (CID 117031724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).