O-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine

C10H12N2O — CID 117204984

IUPACO-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine
SMILESCc1c[nH]c2cc(CON)ccc12
InChIInChI=1S/C10H12N2O/c1-7-5-12-10-4-8(6-13-11)2-3-9(7)10/h2-5,12H,6,11H2,1H3
InChIKeyLNEODMHGAHSQJK-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.87
Rot. Bonds2

About O-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine

O-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine (PubChem CID 117204984) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is O-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine
PubChem CID117204984
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameO-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine
SMILESCc1c[nH]c2cc(CON)ccc12
InChIInChI=1S/C10H12N2O/c1-7-5-12-10-4-8(6-13-11)2-3-9(7)10/h2-5,12H,6,11H2,1H3
InChIKeyLNEODMHGAHSQJK-UHFFFAOYSA-N
XLogP1.87
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.87
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-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine?
The IUPAC name of O-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine (CID 117204984) is O-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine is Cc1c[nH]c2cc(CON)ccc12.
What is the InChIKey of O-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine?
The InChIKey is LNEODMHGAHSQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-5-12-10-4-8(6-13-11)2-3-9(7)10/h2-5,12H,6,11H2,1H3.
What are the key properties of O-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine?
O-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine has a molecular weight of 176.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine is sourced from PubChem (CID 117204984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).