1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine

C10H11BrN2O — CID 117390328

IUPAC1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine
SMILESCONCc1cccc2c(Br)c[nH]c12
InChIInChI=1S/C10H11BrN2O/c1-14-13-5-7-3-2-4-8-9(11)6-12-10(7)8/h2-4,6,12-13H,5H2,1H3
InChIKeyXHKBBIWMUVKGOF-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.58
Rot. Bonds3

About 1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine

1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine (PubChem CID 117390328) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine
PubChem CID117390328
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine
SMILESCONCc1cccc2c(Br)c[nH]c12
InChIInChI=1S/C10H11BrN2O/c1-14-13-5-7-3-2-4-8-9(11)6-12-10(7)8/h2-4,6,12-13H,5H2,1H3
InChIKeyXHKBBIWMUVKGOF-UHFFFAOYSA-N
XLogP2.58
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine 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 1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine?
The IUPAC name of 1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine (CID 117390328) is 1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine is CONCc1cccc2c(Br)c[nH]c12.
What is the InChIKey of 1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine?
The InChIKey is XHKBBIWMUVKGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-14-13-5-7-3-2-4-8-9(11)6-12-10(7)8/h2-4,6,12-13H,5H2,1H3.
What are the key properties of 1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine?
1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine has a molecular weight of 255.11 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine is sourced from PubChem (CID 117390328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).