O-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine

C10H11ClN2O — CID 117300856

IUPACO-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine
SMILESCc1cc2cc(Cl)c(CON)cc2[nH]1
InChIInChI=1S/C10H11ClN2O/c1-6-2-7-3-9(11)8(5-14-12)4-10(7)13-6/h2-4,13H,5,12H2,1H3
InChIKeyZPBKKWVTHKPVRG-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.52
Rot. Bonds2

About O-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine

O-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine (PubChem CID 117300856) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is O-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine
PubChem CID117300856
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC NameO-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine
SMILESCc1cc2cc(Cl)c(CON)cc2[nH]1
InChIInChI=1S/C10H11ClN2O/c1-6-2-7-3-9(11)8(5-14-12)4-10(7)13-6/h2-4,13H,5,12H2,1H3
InChIKeyZPBKKWVTHKPVRG-UHFFFAOYSA-N
XLogP2.52
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.52
H-Bond Donors ≤ 52
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 O-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine?
The IUPAC name of O-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine (CID 117300856) is O-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine is Cc1cc2cc(Cl)c(CON)cc2[nH]1.
What is the InChIKey of O-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine?
The InChIKey is ZPBKKWVTHKPVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-6-2-7-3-9(11)8(5-14-12)4-10(7)13-6/h2-4,13H,5,12H2,1H3.
What are the key properties of O-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine?
O-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine has a molecular weight of 210.66 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine is sourced from PubChem (CID 117300856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).