N-hydroxy-1-methoxy-N-methylmethanamine oxide

C3H9NO3 — CID 163748067

IUPACN-hydroxy-1-methoxy-N-methylmethanamine oxide
SMILESCOC[N+](C)([O-])O
InChIInChI=1S/C3H9NO3/c1-4(5,6)3-7-2/h5H,3H2,1-2H3
InChIKeyLNPSFUSGFVBTBU-UHFFFAOYSA-N
MW107.11 g/mol
LogP-0.08
Rot. Bonds2

About N-hydroxy-1-methoxy-N-methylmethanamine oxide

N-hydroxy-1-methoxy-N-methylmethanamine oxide (PubChem CID 163748067) has the molecular formula C3H9NO3 and a molecular weight of 107.11 g/mol. Its IUPAC name is N-hydroxy-1-methoxy-N-methylmethanamine oxide.

Molecular Properties

Compound NameN-hydroxy-1-methoxy-N-methylmethanamine oxide
PubChem CID163748067
Molecular FormulaC3H9NO3
Molecular Weight107.11 g/mol
Exact Mass107.06
IUPAC NameN-hydroxy-1-methoxy-N-methylmethanamine oxide
SMILESCOC[N+](C)([O-])O
InChIInChI=1S/C3H9NO3/c1-4(5,6)3-7-2/h5H,3H2,1-2H3
InChIKeyLNPSFUSGFVBTBU-UHFFFAOYSA-N
XLogP-0.08
TPSA52.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N-hydroxy-1-methoxy-N-methylmethanamine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-methoxy-N-methylmethanamine oxide?
The IUPAC name of N-hydroxy-1-methoxy-N-methylmethanamine oxide (CID 163748067) is N-hydroxy-1-methoxy-N-methylmethanamine oxide.
What is the SMILES notation for N-hydroxy-1-methoxy-N-methylmethanamine oxide?
The canonical SMILES for N-hydroxy-1-methoxy-N-methylmethanamine oxide is COC[N+](C)([O-])O.
What is the InChIKey of N-hydroxy-1-methoxy-N-methylmethanamine oxide?
The InChIKey is LNPSFUSGFVBTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3/c1-4(5,6)3-7-2/h5H,3H2,1-2H3.
What are the key properties of N-hydroxy-1-methoxy-N-methylmethanamine oxide?
N-hydroxy-1-methoxy-N-methylmethanamine oxide has a molecular weight of 107.11 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-methoxy-N-methylmethanamine oxide is sourced from PubChem (CID 163748067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).