N-[methyl(oxido)amino]oxymethanamine

C2H7N2O2- — CID 163663501

IUPACN-[methyl(oxido)amino]oxymethanamine
SMILESCNON(C)[O-]
InChIInChI=1S/C2H7N2O2/c1-3-6-4(2)5/h3H,1-2H3/q-1
InChIKeyWKLSIMGZTGLSLR-UHFFFAOYSA-N
MW91.09 g/mol
LogP-0.52
Rot. Bonds2

About N-[methyl(oxido)amino]oxymethanamine

N-[methyl(oxido)amino]oxymethanamine (PubChem CID 163663501) has the molecular formula C2H7N2O2- and a molecular weight of 91.09 g/mol. Its IUPAC name is N-[methyl(oxido)amino]oxymethanamine.

Molecular Properties

Compound NameN-[methyl(oxido)amino]oxymethanamine
PubChem CID163663501
Molecular FormulaC2H7N2O2-
Molecular Weight91.09 g/mol
Exact Mass91.05
IUPAC NameN-[methyl(oxido)amino]oxymethanamine
SMILESCNON(C)[O-]
InChIInChI=1S/C2H7N2O2/c1-3-6-4(2)5/h3H,1-2H3/q-1
InChIKeyWKLSIMGZTGLSLR-UHFFFAOYSA-N
XLogP-0.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms6
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.09
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
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-[methyl(oxido)amino]oxymethanamine?
The IUPAC name of N-[methyl(oxido)amino]oxymethanamine (CID 163663501) is N-[methyl(oxido)amino]oxymethanamine.
What is the SMILES notation for N-[methyl(oxido)amino]oxymethanamine?
The canonical SMILES for N-[methyl(oxido)amino]oxymethanamine is CNON(C)[O-].
What is the InChIKey of N-[methyl(oxido)amino]oxymethanamine?
The InChIKey is WKLSIMGZTGLSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N2O2/c1-3-6-4(2)5/h3H,1-2H3/q-1.
What are the key properties of N-[methyl(oxido)amino]oxymethanamine?
N-[methyl(oxido)amino]oxymethanamine has a molecular weight of 91.09 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(oxido)amino]oxymethanamine is sourced from PubChem (CID 163663501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).