N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine

C9H9BrN2O — CID 82622001

IUPACN-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine
SMILESONCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C9H9BrN2O/c10-7-1-2-9-8(3-7)6(4-11-9)5-12-13/h1-4,11-13H,5H2
InChIKeyYMZUHIRWCKFVQY-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.41
Rot. Bonds2

About N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine

N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine (PubChem CID 82622001) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine
PubChem CID82622001
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC NameN-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine
SMILESONCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C9H9BrN2O/c10-7-1-2-9-8(3-7)6(4-11-9)5-12-13/h1-4,11-13H,5H2
InChIKeyYMZUHIRWCKFVQY-UHFFFAOYSA-N
XLogP2.41
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine?
The IUPAC name of N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine (CID 82622001) is N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine is ONCc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine?
The InChIKey is YMZUHIRWCKFVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-7-1-2-9-8(3-7)6(4-11-9)5-12-13/h1-4,11-13H,5H2.
What are the key properties of N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine?
N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine has a molecular weight of 241.09 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 82622001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).