N-benzylhydroxylamine

C7H9NO — CID 2794173

IUPACN-benzylhydroxylamine
SMILESONCc1ccccc1
InChIInChI=1S/C7H9NO/c9-8-6-7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyLVCDXCQFSONNDO-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.17
Rot. Bonds2

About N-benzylhydroxylamine

N-benzylhydroxylamine (PubChem CID 2794173) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is N-benzylhydroxylamine.

Molecular Properties

Compound NameN-benzylhydroxylamine
PubChem CID2794173
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC NameN-benzylhydroxylamine
SMILESONCc1ccccc1
InChIInChI=1S/C7H9NO/c9-8-6-7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyLVCDXCQFSONNDO-UHFFFAOYSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.17
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 N-benzylhydroxylamine?
The IUPAC name of N-benzylhydroxylamine (CID 2794173) is N-benzylhydroxylamine.
What is the SMILES notation for N-benzylhydroxylamine?
The canonical SMILES for N-benzylhydroxylamine is ONCc1ccccc1.
What is the InChIKey of N-benzylhydroxylamine?
The InChIKey is LVCDXCQFSONNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c9-8-6-7-4-2-1-3-5-7/h1-5,8-9H,6H2.
What are the key properties of N-benzylhydroxylamine?
N-benzylhydroxylamine has a molecular weight of 123.15 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylhydroxylamine is sourced from PubChem (CID 2794173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).