N-[(4-methylphenyl)methyl]-N-oxidohydroxylamine

C8H10NO2- — CID 163902937

IUPACN-[(4-methylphenyl)methyl]-N-oxidohydroxylamine
SMILESCc1ccc(CN([O-])O)cc1
InChIInChI=1S/C8H10NO2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5,10H,6H2,1H3/q-1
InChIKeyDIVOHYVKHWQFRH-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.68
Rot. Bonds2

About N-[(4-methylphenyl)methyl]-N-oxidohydroxylamine

N-[(4-methylphenyl)methyl]-N-oxidohydroxylamine (PubChem CID 163902937) has the molecular formula C8H10NO2- and a molecular weight of 152.17 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-oxidohydroxylamine
PubChem CID163902937
Molecular FormulaC8H10NO2-
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC NameN-[(4-methylphenyl)methyl]-N-oxidohydroxylamine
SMILESCc1ccc(CN([O-])O)cc1
InChIInChI=1S/C8H10NO2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5,10H,6H2,1H3/q-1
InChIKeyDIVOHYVKHWQFRH-UHFFFAOYSA-N
XLogP1.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4-methylphenyl)methyl]-N-oxidohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-oxidohydroxylamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-oxidohydroxylamine (CID 163902937) is N-[(4-methylphenyl)methyl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-oxidohydroxylamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-oxidohydroxylamine is Cc1ccc(CN([O-])O)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-oxidohydroxylamine?
The InChIKey is DIVOHYVKHWQFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5,10H,6H2,1H3/q-1.
What are the key properties of N-[(4-methylphenyl)methyl]-N-oxidohydroxylamine?
N-[(4-methylphenyl)methyl]-N-oxidohydroxylamine has a molecular weight of 152.17 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-oxidohydroxylamine is sourced from PubChem (CID 163902937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).