1-methoxy-N-methyl-1-oxomethanamine oxide

C3H7NO3 — CID 163557527

IUPAC1-methoxy-N-methyl-1-oxomethanamine oxide
SMILESCOC(=O)[NH+](C)[O-]
InChIInChI=1S/C3H7NO3/c1-4(6)3(5)7-2/h4H,1-2H3
InChIKeyFOJVTGFXUJMNIG-UHFFFAOYSA-N
MW105.09 g/mol
LogP-1.23
Rot. Bonds

About 1-methoxy-N-methyl-1-oxomethanamine oxide

1-methoxy-N-methyl-1-oxomethanamine oxide (PubChem CID 163557527) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is 1-methoxy-N-methyl-1-oxomethanamine oxide.

Molecular Properties

Compound Name1-methoxy-N-methyl-1-oxomethanamine oxide
PubChem CID163557527
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Name1-methoxy-N-methyl-1-oxomethanamine oxide
SMILESCOC(=O)[NH+](C)[O-]
InChIInChI=1S/C3H7NO3/c1-4(6)3(5)7-2/h4H,1-2H3
InChIKeyFOJVTGFXUJMNIG-UHFFFAOYSA-N
XLogP-1.23
TPSA53.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl boranylformate
CID 4077688
methyl acetate;ruthenium
CID 160799101
dimethyl oxalate
CID 11120
methane;methyl carbonate;molecular iodine
CID 159941890
methane;methyl acetate
CID 158871569
argon;methyl acetate
CID 169424774
bismuthane;methyl acetate
CID 174537209
dimethyl carbonate;ethane
CID 160632176
copper;methyl acetate
CID 174340034
methyl carboniodidate
CID 87920262
methane;methyl acetate
CID 162094565
methyl acetate;titanium
CID 87665287

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-1-oxomethanamine oxide?
The IUPAC name of 1-methoxy-N-methyl-1-oxomethanamine oxide (CID 163557527) is 1-methoxy-N-methyl-1-oxomethanamine oxide.
What is the SMILES notation for 1-methoxy-N-methyl-1-oxomethanamine oxide?
The canonical SMILES for 1-methoxy-N-methyl-1-oxomethanamine oxide is COC(=O)[NH+](C)[O-].
What is the InChIKey of 1-methoxy-N-methyl-1-oxomethanamine oxide?
The InChIKey is FOJVTGFXUJMNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3/c1-4(6)3(5)7-2/h4H,1-2H3.
What are the key properties of 1-methoxy-N-methyl-1-oxomethanamine oxide?
1-methoxy-N-methyl-1-oxomethanamine oxide has a molecular weight of 105.09 g/mol, XLogP of -1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-1-oxomethanamine oxide is sourced from PubChem (CID 163557527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).