N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide

C10H14N4O2 — CID 21143703

IUPACN-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide
SMILES[O-][NH+](O)c1ccc(/N=N/N2CCCC2)cc1
InChIInChI=1S/C10H14N4O2/c15-14(16)10-5-3-9(4-6-10)11-12-13-7-1-2-8-13/h3-6,14-15H,1-2,7-8H2/b12-11+
InChIKeyKCUYPULYDVQXHP-VAWYXSNFSA-N
MW222.25 g/mol
LogP1.18
Rot. Bonds3

About N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide

N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide (PubChem CID 21143703) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide
PubChem CID21143703
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide
SMILES[O-][NH+](O)c1ccc(/N=N/N2CCCC2)cc1
InChIInChI=1S/C10H14N4O2/c15-14(16)10-5-3-9(4-6-10)11-12-13-7-1-2-8-13/h3-6,14-15H,1-2,7-8H2/b12-11+
InChIKeyKCUYPULYDVQXHP-VAWYXSNFSA-N
XLogP1.18
TPSA75.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide?
The IUPAC name of N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide (CID 21143703) is N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide.
What is the SMILES notation for N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide?
The canonical SMILES for N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide is [O-][NH+](O)c1ccc(/N=N/N2CCCC2)cc1.
What is the InChIKey of N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide?
The InChIKey is KCUYPULYDVQXHP-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-14(16)10-5-3-9(4-6-10)11-12-13-7-1-2-8-13/h3-6,14-15H,1-2,7-8H2/b12-11+.
What are the key properties of N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide?
N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide has a molecular weight of 222.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(pyrrolidin-1-yldiazenyl)benzeneamine oxide is sourced from PubChem (CID 21143703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).