O-(1H-indol-4-ylmethyl)hydroxylamine

C9H10N2O — CID 117276139

IUPACO-(1H-indol-4-ylmethyl)hydroxylamine
SMILESNOCc1cccc2[nH]ccc12
InChIInChI=1S/C9H10N2O/c10-12-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H,6,10H2
InChIKeyWJTLKJJCJDTRAC-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.56
Rot. Bonds2

About O-(1H-indol-4-ylmethyl)hydroxylamine

O-(1H-indol-4-ylmethyl)hydroxylamine (PubChem CID 117276139) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is O-(1H-indol-4-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameO-(1H-indol-4-ylmethyl)hydroxylamine
PubChem CID117276139
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameO-(1H-indol-4-ylmethyl)hydroxylamine
SMILESNOCc1cccc2[nH]ccc12
InChIInChI=1S/C9H10N2O/c10-12-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H,6,10H2
InChIKeyWJTLKJJCJDTRAC-UHFFFAOYSA-N
XLogP1.56
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.56
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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Related Compounds

ethane;1H-indol-4-ylmethanamine
CID 144540106
4-(iodomethyl)-1H-indole
CID 143791617
4-(2-methylbut-2-enyl)-1H-indole
CID 141009102
1-(1H-indol-4-ylmethyl)cyclopropan-1-amine
CID 117280504
1H-indol-4-ol
CID 102220556
benzyl 2-(1H-indol-4-yl)acetate
CID 143599585
4-(isocyanomethyl)-1H-indole
CID 83479881
O-(1H-benzimidazol-4-ylmethyl)hydroxylamine
CID 117276188
1H-indol-4-amine;hydrochloride
CID 22461572
N-[2-(1H-indol-4-yl)ethylidene]hydroxylamine
CID 131861438
N-(1H-indol-4-ylmethyl)-1-pyridin-4-ylmethanamine
CID 17221052
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036

Frequently Asked Questions

What is the IUPAC name of O-(1H-indol-4-ylmethyl)hydroxylamine?
The IUPAC name of O-(1H-indol-4-ylmethyl)hydroxylamine (CID 117276139) is O-(1H-indol-4-ylmethyl)hydroxylamine.
What is the SMILES notation for O-(1H-indol-4-ylmethyl)hydroxylamine?
The canonical SMILES for O-(1H-indol-4-ylmethyl)hydroxylamine is NOCc1cccc2[nH]ccc12.
What is the InChIKey of O-(1H-indol-4-ylmethyl)hydroxylamine?
The InChIKey is WJTLKJJCJDTRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-12-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H,6,10H2.
What are the key properties of O-(1H-indol-4-ylmethyl)hydroxylamine?
O-(1H-indol-4-ylmethyl)hydroxylamine has a molecular weight of 162.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1H-indol-4-ylmethyl)hydroxylamine is sourced from PubChem (CID 117276139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).