N-hydroxy-2-nitrosoethanamine oxide

C2H6N2O3 — CID 163778904

IUPACN-hydroxy-2-nitrosoethanamine oxide
SMILESO=NCC[NH+]([O-])O
InChIInChI=1S/C2H6N2O3/c5-3-1-2-4(6)7/h4,6H,1-2H2
InChIKeyMMWUOJUAOREZRJ-UHFFFAOYSA-N
MW106.08 g/mol
LogP-1.48
Rot. Bonds3

About N-hydroxy-2-nitrosoethanamine oxide

N-hydroxy-2-nitrosoethanamine oxide (PubChem CID 163778904) has the molecular formula C2H6N2O3 and a molecular weight of 106.08 g/mol. Its IUPAC name is N-hydroxy-2-nitrosoethanamine oxide.

Molecular Properties

Compound NameN-hydroxy-2-nitrosoethanamine oxide
PubChem CID163778904
Molecular FormulaC2H6N2O3
Molecular Weight106.08 g/mol
Exact Mass106.04
IUPAC NameN-hydroxy-2-nitrosoethanamine oxide
SMILESO=NCC[NH+]([O-])O
InChIInChI=1S/C2H6N2O3/c5-3-1-2-4(6)7/h4,6H,1-2H2
InChIKeyMMWUOJUAOREZRJ-UHFFFAOYSA-N
XLogP-1.48
TPSA77.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 5-1.48
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-hydroxy-2-nitrosoethanamine oxide?
The IUPAC name of N-hydroxy-2-nitrosoethanamine oxide (CID 163778904) is N-hydroxy-2-nitrosoethanamine oxide.
What is the SMILES notation for N-hydroxy-2-nitrosoethanamine oxide?
The canonical SMILES for N-hydroxy-2-nitrosoethanamine oxide is O=NCC[NH+]([O-])O.
What is the InChIKey of N-hydroxy-2-nitrosoethanamine oxide?
The InChIKey is MMWUOJUAOREZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O3/c5-3-1-2-4(6)7/h4,6H,1-2H2.
What are the key properties of N-hydroxy-2-nitrosoethanamine oxide?
N-hydroxy-2-nitrosoethanamine oxide has a molecular weight of 106.08 g/mol, XLogP of -1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-nitrosoethanamine oxide is sourced from PubChem (CID 163778904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).