N-methyl-N-oxidoacetamide

C3H6NO2- — CID 15184709

IUPACN-methyl-N-oxidoacetamide
SMILESCC(=O)N(C)[O-]
InChIInChI=1S/C3H6NO2/c1-3(5)4(2)6/h1-2H3/q-1
InChIKeySGGAIRBGXICRFT-UHFFFAOYSA-N
MW88.09 g/mol
LogP-0.04
Rot. Bonds

About N-methyl-N-oxidoacetamide

N-methyl-N-oxidoacetamide (PubChem CID 15184709) has the molecular formula C3H6NO2- and a molecular weight of 88.09 g/mol. Its IUPAC name is N-methyl-N-oxidoacetamide.

Molecular Properties

Compound NameN-methyl-N-oxidoacetamide
PubChem CID15184709
Molecular FormulaC3H6NO2-
Molecular Weight88.09 g/mol
Exact Mass88.04
IUPAC NameN-methyl-N-oxidoacetamide
SMILESCC(=O)N(C)[O-]
InChIInChI=1S/C3H6NO2/c1-3(5)4(2)6/h1-2H3/q-1
InChIKeySGGAIRBGXICRFT-UHFFFAOYSA-N
XLogP-0.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.09
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-N-oxidoacetamide?
The IUPAC name of N-methyl-N-oxidoacetamide (CID 15184709) is N-methyl-N-oxidoacetamide.
What is the SMILES notation for N-methyl-N-oxidoacetamide?
The canonical SMILES for N-methyl-N-oxidoacetamide is CC(=O)N(C)[O-].
What is the InChIKey of N-methyl-N-oxidoacetamide?
The InChIKey is SGGAIRBGXICRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO2/c1-3(5)4(2)6/h1-2H3/q-1.
What are the key properties of N-methyl-N-oxidoacetamide?
N-methyl-N-oxidoacetamide has a molecular weight of 88.09 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-oxidoacetamide is sourced from PubChem (CID 15184709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).