7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione

C11H11BrN2O2 — CID 61387766

IUPAC7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione
SMILESCNCCN1C(=O)C(=O)c2cccc(Br)c21
InChIInChI=1S/C11H11BrN2O2/c1-13-5-6-14-9-7(10(15)11(14)16)3-2-4-8(9)12/h2-4,13H,5-6H2,1H3
InChIKeyLZWWOHULEBIFOI-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.20
Rot. Bonds3

About 7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione

7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione (PubChem CID 61387766) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione
PubChem CID61387766
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione
SMILESCNCCN1C(=O)C(=O)c2cccc(Br)c21
InChIInChI=1S/C11H11BrN2O2/c1-13-5-6-14-9-7(10(15)11(14)16)3-2-4-8(9)12/h2-4,13H,5-6H2,1H3
InChIKeyLZWWOHULEBIFOI-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione?
The IUPAC name of 7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione (CID 61387766) is 7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione.
What is the SMILES notation for 7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione?
The canonical SMILES for 7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione is CNCCN1C(=O)C(=O)c2cccc(Br)c21.
What is the InChIKey of 7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione?
The InChIKey is LZWWOHULEBIFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-13-5-6-14-9-7(10(15)11(14)16)3-2-4-8(9)12/h2-4,13H,5-6H2,1H3.
What are the key properties of 7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione?
7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione has a molecular weight of 283.12 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione is sourced from PubChem (CID 61387766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).