nickel;2-(oxaziridin-3-yl)phenol

C7H7NNiO2 — CID 174498524

IUPACnickel;2-(oxaziridin-3-yl)phenol
SMILESOc1ccccc1C1NO1.[Ni]
InChIInChI=1S/C7H7NO2.Ni/c9-6-4-2-1-3-5(6)7-8-10-7;/h1-4,7-9H;
InChIKeyPOLSGDKQLMZOGU-UHFFFAOYSA-N
MW195.83 g/mol
LogP0.92
Rot. Bonds1

About nickel;2-(oxaziridin-3-yl)phenol

nickel;2-(oxaziridin-3-yl)phenol (PubChem CID 174498524) has the molecular formula C7H7NNiO2 and a molecular weight of 195.83 g/mol. Its IUPAC name is nickel;2-(oxaziridin-3-yl)phenol.

Molecular Properties

Compound Namenickel;2-(oxaziridin-3-yl)phenol
PubChem CID174498524
Molecular FormulaC7H7NNiO2
Molecular Weight195.83 g/mol
Exact Mass194.98
IUPAC Namenickel;2-(oxaziridin-3-yl)phenol
SMILESOc1ccccc1C1NO1.[Ni]
InChIInChI=1S/C7H7NO2.Ni/c9-6-4-2-1-3-5(6)7-8-10-7;/h1-4,7-9H;
InChIKeyPOLSGDKQLMZOGU-UHFFFAOYSA-N
XLogP0.92
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.83
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(oxaziridin-3-yl)phenol;trichlorochromium
CID 175156745
2-(1,3-oxazolidin-2-yl)phenol
CID 68731232
2-(dioxiran-3-yl)phenol
CID 87283547
2-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenol
CID 146018572
4-methoxy-2-(oxaziridin-3-yl)phenol
CID 174408639
2-(4-methyl-1,3-oxazolidin-2-yl)phenol
CID 117228504
(3S)-3-phenyloxaziridine
CID 143593965
3-phenyloxaziridine
CID 18523120
2-[3-(2-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol
CID 752691
2-(azetidin-2-yl)phenol
CID 55282316
2-(2,3-dibromocyclopropyl)phenol
CID 21403439
2-(2,3-dichlorocyclopropyl)phenol
CID 69048040

Frequently Asked Questions

What is the IUPAC name of nickel;2-(oxaziridin-3-yl)phenol?
The IUPAC name of nickel;2-(oxaziridin-3-yl)phenol (CID 174498524) is nickel;2-(oxaziridin-3-yl)phenol.
What is the SMILES notation for nickel;2-(oxaziridin-3-yl)phenol?
The canonical SMILES for nickel;2-(oxaziridin-3-yl)phenol is Oc1ccccc1C1NO1.[Ni].
What is the InChIKey of nickel;2-(oxaziridin-3-yl)phenol?
The InChIKey is POLSGDKQLMZOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.Ni/c9-6-4-2-1-3-5(6)7-8-10-7;/h1-4,7-9H;.
What are the key properties of nickel;2-(oxaziridin-3-yl)phenol?
nickel;2-(oxaziridin-3-yl)phenol has a molecular weight of 195.83 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;2-(oxaziridin-3-yl)phenol is sourced from PubChem (CID 174498524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).