O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine

C11H13BrN2O — CID 117195269

IUPACO-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine
SMILESCCn1c(CON)cc2cc(Br)ccc21
InChIInChI=1S/C11H13BrN2O/c1-2-14-10(7-15-13)6-8-5-9(12)3-4-11(8)14/h3-6H,2,7,13H2,1H3
InChIKeyGVZDUGOYXZUSME-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.81
Rot. Bonds3

About O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine

O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine (PubChem CID 117195269) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine
PubChem CID117195269
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC NameO-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine
SMILESCCn1c(CON)cc2cc(Br)ccc21
InChIInChI=1S/C11H13BrN2O/c1-2-14-10(7-15-13)6-8-5-9(12)3-4-11(8)14/h3-6H,2,7,13H2,1H3
InChIKeyGVZDUGOYXZUSME-UHFFFAOYSA-N
XLogP2.81
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine (CID 117195269) is O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine is CCn1c(CON)cc2cc(Br)ccc21.
What is the InChIKey of O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine?
The InChIKey is GVZDUGOYXZUSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-2-14-10(7-15-13)6-8-5-9(12)3-4-11(8)14/h3-6H,2,7,13H2,1H3.
What are the key properties of O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine?
O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine has a molecular weight of 269.14 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 117195269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).