1-ethoxy-N-methyl-1-oxopropan-2-imine oxide

C6H11NO3 — CID 10866467

IUPAC1-ethoxy-N-methyl-1-oxopropan-2-imine oxide
SMILESCCOC(=O)/C(C)=[N+](/C)[O-]
InChIInChI=1S/C6H11NO3/c1-4-10-6(8)5(2)7(3)9/h4H2,1-3H3/b7-5-
InChIKeyFMMQETWLOGSMCG-ALCCZGGFSA-N
MW145.16 g/mol
LogP0.15
Rot. Bonds2

About 1-ethoxy-N-methyl-1-oxopropan-2-imine oxide

1-ethoxy-N-methyl-1-oxopropan-2-imine oxide (PubChem CID 10866467) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1-ethoxy-N-methyl-1-oxopropan-2-imine oxide.

Molecular Properties

Compound Name1-ethoxy-N-methyl-1-oxopropan-2-imine oxide
PubChem CID10866467
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name1-ethoxy-N-methyl-1-oxopropan-2-imine oxide
SMILESCCOC(=O)/C(C)=[N+](/C)[O-]
InChIInChI=1S/C6H11NO3/c1-4-10-6(8)5(2)7(3)9/h4H2,1-3H3/b7-5-
InChIKeyFMMQETWLOGSMCG-ALCCZGGFSA-N
XLogP0.15
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-N-methyl-1-oxopropan-2-imine oxide
CID 10877249
ethyl 2-hydroxyiminopropanoate
CID 6399798
ethyl 2-oxo(213C)propanoate
CID 71309469
CID 159370772
CID 159370772
diethyl oxalate;ethyl acetate
CID 160900883
potassium 2-ethoxy-2-oxoacetate
CID 23678856
CID 159689459
CID 159689459
(1-ethoxy-1-oxopropan-2-ylidene)-bis(prop-2-enyl)azanium chloride
CID 88713859
ethyl 2-methylprop-2-enoate
CID 130475774
azanium 2-ethoxy-2-oxoacetate
CID 141289359
(E)-3,4-diethoxy-4-oxobut-2-en-2-olate
CID 54690084
ethyl 2-[(Z)-2-aminoethenyl]iminopropanoate
CID 156513409

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-methyl-1-oxopropan-2-imine oxide?
The IUPAC name of 1-ethoxy-N-methyl-1-oxopropan-2-imine oxide (CID 10866467) is 1-ethoxy-N-methyl-1-oxopropan-2-imine oxide.
What is the SMILES notation for 1-ethoxy-N-methyl-1-oxopropan-2-imine oxide?
The canonical SMILES for 1-ethoxy-N-methyl-1-oxopropan-2-imine oxide is CCOC(=O)/C(C)=[N+](/C)[O-].
What is the InChIKey of 1-ethoxy-N-methyl-1-oxopropan-2-imine oxide?
The InChIKey is FMMQETWLOGSMCG-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4-10-6(8)5(2)7(3)9/h4H2,1-3H3/b7-5-.
What are the key properties of 1-ethoxy-N-methyl-1-oxopropan-2-imine oxide?
1-ethoxy-N-methyl-1-oxopropan-2-imine oxide has a molecular weight of 145.16 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-methyl-1-oxopropan-2-imine oxide is sourced from PubChem (CID 10866467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).