O-[(1-methylindol-5-yl)methyl]hydroxylamine

C10H12N2O — CID 83481903

IUPACO-[(1-methylindol-5-yl)methyl]hydroxylamine
SMILESCn1ccc2cc(CON)ccc21
InChIInChI=1S/C10H12N2O/c1-12-5-4-9-6-8(7-13-11)2-3-10(9)12/h2-6H,7,11H2,1H3
InChIKeyFZXVABIUQDGWOV-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.57
Rot. Bonds2

About O-[(1-methylindol-5-yl)methyl]hydroxylamine

O-[(1-methylindol-5-yl)methyl]hydroxylamine (PubChem CID 83481903) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is O-[(1-methylindol-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(1-methylindol-5-yl)methyl]hydroxylamine
PubChem CID83481903
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameO-[(1-methylindol-5-yl)methyl]hydroxylamine
SMILESCn1ccc2cc(CON)ccc21
InChIInChI=1S/C10H12N2O/c1-12-5-4-9-6-8(7-13-11)2-3-10(9)12/h2-6H,7,11H2,1H3
InChIKeyFZXVABIUQDGWOV-UHFFFAOYSA-N
XLogP1.57
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(1-methylindol-5-yl)methyl]hydroxylamine?
The IUPAC name of O-[(1-methylindol-5-yl)methyl]hydroxylamine (CID 83481903) is O-[(1-methylindol-5-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(1-methylindol-5-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(1-methylindol-5-yl)methyl]hydroxylamine is Cn1ccc2cc(CON)ccc21.
What is the InChIKey of O-[(1-methylindol-5-yl)methyl]hydroxylamine?
The InChIKey is FZXVABIUQDGWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12-5-4-9-6-8(7-13-11)2-3-10(9)12/h2-6H,7,11H2,1H3.
What are the key properties of O-[(1-methylindol-5-yl)methyl]hydroxylamine?
O-[(1-methylindol-5-yl)methyl]hydroxylamine has a molecular weight of 176.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(1-methylindol-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 83481903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).