methyl 2-ethyliminoacetate

C5H9NO2 — CID 22138579

IUPACmethyl 2-ethyliminoacetate
SMILESCC/N=C/C(=O)OC
InChIInChI=1S/C5H9NO2/c1-3-6-4-5(7)8-2/h4H,3H2,1-2H3/b6-4+
InChIKeyAVISJOUGHOEHQE-GQCTYLIASA-N
MW115.13 g/mol
LogP0.25
Rot. Bonds2

About methyl 2-ethyliminoacetate

methyl 2-ethyliminoacetate (PubChem CID 22138579) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is methyl 2-ethyliminoacetate.

Molecular Properties

Compound Namemethyl 2-ethyliminoacetate
PubChem CID22138579
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Namemethyl 2-ethyliminoacetate
SMILESCC/N=C/C(=O)OC
InChIInChI=1S/C5H9NO2/c1-3-6-4-5(7)8-2/h4H,3H2,1-2H3/b6-4+
InChIKeyAVISJOUGHOEHQE-GQCTYLIASA-N
XLogP0.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid, (acetylimino)-, ethyl ester
CID 9989372
2-ethoxy-N-methyl-2-oxoethanimine oxide
CID 15203489
2-Methyl-5-oxazolone
CID 19078040
2-Methyliminoacetate
CID 23183978
Ethyl 2-methyliminoacetate
CID 57935279
Ethyl 2-ethyliminoacetate
CID 123445032
Methyl 2-(2,2,2-trifluoroethylimino)acetate
CID 139818862
Methyl 2-(trifluoromethylimino)acetate
CID 140972943
2-ethoxy-N-methyl-2-oxoethanimine oxide
CID 10986255
Ethyl (2E)-[(ethoxycarbonyl)imino]acetate
CID 11252280
ethyl (2E)-2-methoxycarbonyliminoacetate
CID 11309660
ethyl (2Z)-2-ethoxycarbonyliminoacetate
CID 45122897

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyliminoacetate?
The IUPAC name of methyl 2-ethyliminoacetate (CID 22138579) is methyl 2-ethyliminoacetate.
What is the SMILES notation for methyl 2-ethyliminoacetate?
The canonical SMILES for methyl 2-ethyliminoacetate is CC/N=C/C(=O)OC.
What is the InChIKey of methyl 2-ethyliminoacetate?
The InChIKey is AVISJOUGHOEHQE-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-6-4-5(7)8-2/h4H,3H2,1-2H3/b6-4+.
What are the key properties of methyl 2-ethyliminoacetate?
methyl 2-ethyliminoacetate has a molecular weight of 115.13 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyliminoacetate is sourced from PubChem (CID 22138579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).