N-(4-nitrosophenyl)hydroxylamine

C6H6N2O2 — CID 7737

IUPACN-(4-nitrosophenyl)hydroxylamine
SMILESO=Nc1ccc(NO)cc1
InChIInChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,7,9H
InChIKeyDZCCLNYLUGNUKQ-UHFFFAOYSA-N
MW138.13 g/mol
LogP1.89
Rot. Bonds2

About N-(4-nitrosophenyl)hydroxylamine

N-(4-nitrosophenyl)hydroxylamine (PubChem CID 7737) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is N-(4-nitrosophenyl)hydroxylamine.

Molecular Properties

Compound NameN-(4-nitrosophenyl)hydroxylamine
PubChem CID7737
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC NameN-(4-nitrosophenyl)hydroxylamine
SMILESO=Nc1ccc(NO)cc1
InChIInChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,7,9H
InChIKeyDZCCLNYLUGNUKQ-UHFFFAOYSA-N
XLogP1.89
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-nitrosophenyl)hydroxylamine?
The IUPAC name of N-(4-nitrosophenyl)hydroxylamine (CID 7737) is N-(4-nitrosophenyl)hydroxylamine.
What is the SMILES notation for N-(4-nitrosophenyl)hydroxylamine?
The canonical SMILES for N-(4-nitrosophenyl)hydroxylamine is O=Nc1ccc(NO)cc1.
What is the InChIKey of N-(4-nitrosophenyl)hydroxylamine?
The InChIKey is DZCCLNYLUGNUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,7,9H.
What are the key properties of N-(4-nitrosophenyl)hydroxylamine?
N-(4-nitrosophenyl)hydroxylamine has a molecular weight of 138.13 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrosophenyl)hydroxylamine is sourced from PubChem (CID 7737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).