ethyl N-(methylcarbamoyl)ethanimidate

C6H12N2O2 — CID 71371066

IUPACethyl N-(methylcarbamoyl)ethanimidate
SMILESCCOC(C)=NC(=O)NC
InChIInChI=1S/C6H12N2O2/c1-4-10-5(2)8-6(9)7-3/h4H2,1-3H3,(H,7,9)
InChIKeyMRLVQPIFWCOQRL-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.78
Rot. Bonds1

About ethyl N-(methylcarbamoyl)ethanimidate

ethyl N-(methylcarbamoyl)ethanimidate (PubChem CID 71371066) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is ethyl N-(methylcarbamoyl)ethanimidate.

Molecular Properties

Compound Nameethyl N-(methylcarbamoyl)ethanimidate
PubChem CID71371066
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Nameethyl N-(methylcarbamoyl)ethanimidate
SMILESCCOC(C)=NC(=O)NC
InChIInChI=1S/C6H12N2O2/c1-4-10-5(2)8-6(9)7-3/h4H2,1-3H3,(H,7,9)
InChIKeyMRLVQPIFWCOQRL-UHFFFAOYSA-N
XLogP0.78
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N-acetylethanimidate
CID 10011919
ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
methyl 2-(1-ethoxyethylideneamino)acetate
CID 10986527
ethyl (1E)-ethanehydrazonate
CID 57432796
ethyl (1E)-N-hydroxyethanimidate
CID 5363167
ethyl 3-oxobutanoate;nitrous acid
CID 174806724
ethyl 3-oxobutanoate;λ2-stannane
CID 175443990
chromium(2+);ethyl 3-oxobutanoate
CID 19859999
bis(ethyl 3-oxobutanoate);methane
CID 161351489
Tris(ethylacetoacetato)aluminium
CID 6333145
cobalt;ethyl 3-oxobutanoate
CID 87182205
ethyl N-methylcarbamate;formaldehyde
CID 160650405

Frequently Asked Questions

What is the IUPAC name of ethyl N-(methylcarbamoyl)ethanimidate?
The IUPAC name of ethyl N-(methylcarbamoyl)ethanimidate (CID 71371066) is ethyl N-(methylcarbamoyl)ethanimidate.
What is the SMILES notation for ethyl N-(methylcarbamoyl)ethanimidate?
The canonical SMILES for ethyl N-(methylcarbamoyl)ethanimidate is CCOC(C)=NC(=O)NC.
What is the InChIKey of ethyl N-(methylcarbamoyl)ethanimidate?
The InChIKey is MRLVQPIFWCOQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4-10-5(2)8-6(9)7-3/h4H2,1-3H3,(H,7,9).
What are the key properties of ethyl N-(methylcarbamoyl)ethanimidate?
ethyl N-(methylcarbamoyl)ethanimidate has a molecular weight of 144.17 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(methylcarbamoyl)ethanimidate is sourced from PubChem (CID 71371066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).