methyl N-ethoxycarbonylmethanimidate

C5H9NO3 — CID 163786531

IUPACmethyl N-ethoxycarbonylmethanimidate
SMILESCCOC(=O)N=COC
InChIInChI=1S/C5H9NO3/c1-3-9-5(7)6-4-8-2/h4H,3H2,1-2H3
InChIKeyMTBCCLHOFQXXFV-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.82
Rot. Bonds2

About methyl N-ethoxycarbonylmethanimidate

methyl N-ethoxycarbonylmethanimidate (PubChem CID 163786531) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is methyl N-ethoxycarbonylmethanimidate.

Molecular Properties

Compound Namemethyl N-ethoxycarbonylmethanimidate
PubChem CID163786531
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Namemethyl N-ethoxycarbonylmethanimidate
SMILESCCOC(=O)N=COC
InChIInChI=1S/C5H9NO3/c1-3-9-5(7)6-4-8-2/h4H,3H2,1-2H3
InChIKeyMTBCCLHOFQXXFV-UHFFFAOYSA-N
XLogP0.82
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-ethoxycarbonylmethanimidate?
The IUPAC name of methyl N-ethoxycarbonylmethanimidate (CID 163786531) is methyl N-ethoxycarbonylmethanimidate.
What is the SMILES notation for methyl N-ethoxycarbonylmethanimidate?
The canonical SMILES for methyl N-ethoxycarbonylmethanimidate is CCOC(=O)N=COC.
What is the InChIKey of methyl N-ethoxycarbonylmethanimidate?
The InChIKey is MTBCCLHOFQXXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3-9-5(7)6-4-8-2/h4H,3H2,1-2H3.
What are the key properties of methyl N-ethoxycarbonylmethanimidate?
methyl N-ethoxycarbonylmethanimidate has a molecular weight of 131.13 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethoxycarbonylmethanimidate is sourced from PubChem (CID 163786531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).