(methylperoxyamino)oxymethane

C2H7NO3 — CID 22015713

IUPAC(methylperoxyamino)oxymethane
SMILESCONOOC
InChIInChI=1S/C2H7NO3/c1-4-3-6-5-2/h3H,1-2H3
InChIKeyXRJYOFXHKLOZAU-UHFFFAOYSA-N
MW93.08 g/mol
LogP-0.37
Rot. Bonds3

About (methylperoxyamino)oxymethane

(methylperoxyamino)oxymethane (PubChem CID 22015713) has the molecular formula C2H7NO3 and a molecular weight of 93.08 g/mol. Its IUPAC name is (methylperoxyamino)oxymethane.

Molecular Properties

Compound Name(methylperoxyamino)oxymethane
PubChem CID22015713
Molecular FormulaC2H7NO3
Molecular Weight93.08 g/mol
Exact Mass93.04
IUPAC Name(methylperoxyamino)oxymethane
SMILESCONOOC
InChIInChI=1S/C2H7NO3/c1-4-3-6-5-2/h3H,1-2H3
InChIKeyXRJYOFXHKLOZAU-UHFFFAOYSA-N
XLogP-0.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.08
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (methylperoxyamino)oxymethane?
The IUPAC name of (methylperoxyamino)oxymethane (CID 22015713) is (methylperoxyamino)oxymethane.
What is the SMILES notation for (methylperoxyamino)oxymethane?
The canonical SMILES for (methylperoxyamino)oxymethane is CONOOC.
What is the InChIKey of (methylperoxyamino)oxymethane?
The InChIKey is XRJYOFXHKLOZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3/c1-4-3-6-5-2/h3H,1-2H3.
What are the key properties of (methylperoxyamino)oxymethane?
(methylperoxyamino)oxymethane has a molecular weight of 93.08 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (methylperoxyamino)oxymethane is sourced from PubChem (CID 22015713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).