1-(2-aminoethyl)-7-bromo-3H-indol-2-one

C10H11BrN2O — CID 83760729

IUPAC1-(2-aminoethyl)-7-bromo-3H-indol-2-one
SMILESNCCN1C(=O)Cc2cccc(Br)c21
InChIInChI=1S/C10H11BrN2O/c11-8-3-1-2-7-6-9(14)13(5-4-12)10(7)8/h1-3H,4-6,12H2
InChIKeyGWFVUSZNXQGSPA-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.30
Rot. Bonds2

About 1-(2-aminoethyl)-7-bromo-3H-indol-2-one

1-(2-aminoethyl)-7-bromo-3H-indol-2-one (PubChem CID 83760729) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(2-aminoethyl)-7-bromo-3H-indol-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-7-bromo-3H-indol-2-one
PubChem CID83760729
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name1-(2-aminoethyl)-7-bromo-3H-indol-2-one
SMILESNCCN1C(=O)Cc2cccc(Br)c21
InChIInChI=1S/C10H11BrN2O/c11-8-3-1-2-7-6-9(14)13(5-4-12)10(7)8/h1-3H,4-6,12H2
InChIKeyGWFVUSZNXQGSPA-UHFFFAOYSA-N
XLogP1.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-7-bromo-3H-indol-2-one?
The IUPAC name of 1-(2-aminoethyl)-7-bromo-3H-indol-2-one (CID 83760729) is 1-(2-aminoethyl)-7-bromo-3H-indol-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-7-bromo-3H-indol-2-one?
The canonical SMILES for 1-(2-aminoethyl)-7-bromo-3H-indol-2-one is NCCN1C(=O)Cc2cccc(Br)c21.
What is the InChIKey of 1-(2-aminoethyl)-7-bromo-3H-indol-2-one?
The InChIKey is GWFVUSZNXQGSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-8-3-1-2-7-6-9(14)13(5-4-12)10(7)8/h1-3H,4-6,12H2.
What are the key properties of 1-(2-aminoethyl)-7-bromo-3H-indol-2-one?
1-(2-aminoethyl)-7-bromo-3H-indol-2-one has a molecular weight of 255.11 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-7-bromo-3H-indol-2-one is sourced from PubChem (CID 83760729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).