N-(2H-azirin-3-yl)hydroxylamine

C2H4N2O — CID 57143143

IUPACN-(2H-azirin-3-yl)hydroxylamine
SMILESONC1=NC1
InChIInChI=1S/C2H4N2O/c5-4-2-1-3-2/h5H,1H2,(H,3,4)
InChIKeyNLGQMJUNEQVHLS-UHFFFAOYSA-N
MW72.07 g/mol
LogP-0.62
Rot. Bonds

About N-(2H-azirin-3-yl)hydroxylamine

N-(2H-azirin-3-yl)hydroxylamine (PubChem CID 57143143) has the molecular formula C2H4N2O and a molecular weight of 72.07 g/mol. Its IUPAC name is N-(2H-azirin-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-(2H-azirin-3-yl)hydroxylamine
PubChem CID57143143
Molecular FormulaC2H4N2O
Molecular Weight72.07 g/mol
Exact Mass72.03
IUPAC NameN-(2H-azirin-3-yl)hydroxylamine
SMILESONC1=NC1
InChIInChI=1S/C2H4N2O/c5-4-2-1-3-2/h5H,1H2,(H,3,4)
InChIKeyNLGQMJUNEQVHLS-UHFFFAOYSA-N
XLogP-0.62
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.07
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2H-azirin-3-yl)hydroxylamine?
The IUPAC name of N-(2H-azirin-3-yl)hydroxylamine (CID 57143143) is N-(2H-azirin-3-yl)hydroxylamine.
What is the SMILES notation for N-(2H-azirin-3-yl)hydroxylamine?
The canonical SMILES for N-(2H-azirin-3-yl)hydroxylamine is ONC1=NC1.
What is the InChIKey of N-(2H-azirin-3-yl)hydroxylamine?
The InChIKey is NLGQMJUNEQVHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O/c5-4-2-1-3-2/h5H,1H2,(H,3,4).
What are the key properties of N-(2H-azirin-3-yl)hydroxylamine?
N-(2H-azirin-3-yl)hydroxylamine has a molecular weight of 72.07 g/mol, XLogP of -0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-azirin-3-yl)hydroxylamine is sourced from PubChem (CID 57143143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).