ethyl 2-methyliminopropanoate

C6H11NO2 — CID 20717755

IUPACethyl 2-methyliminopropanoate
SMILESCCOC(=O)/C(C)=N/C
InChIInChI=1S/C6H11NO2/c1-4-9-6(8)5(2)7-3/h4H2,1-3H3/b7-5+
InChIKeyABPJBAWWEJASFY-FNORWQNLSA-N
MW129.16 g/mol
LogP0.64
Rot. Bonds2

About ethyl 2-methyliminopropanoate

ethyl 2-methyliminopropanoate (PubChem CID 20717755) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethyl 2-methyliminopropanoate.

Molecular Properties

Compound Nameethyl 2-methyliminopropanoate
PubChem CID20717755
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethyl 2-methyliminopropanoate
SMILESCCOC(=O)/C(C)=N/C
InChIInChI=1S/C6H11NO2/c1-4-9-6(8)5(2)7-3/h4H2,1-3H3/b7-5+
InChIKeyABPJBAWWEJASFY-FNORWQNLSA-N
XLogP0.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyliminopropanoate?
The IUPAC name of ethyl 2-methyliminopropanoate (CID 20717755) is ethyl 2-methyliminopropanoate.
What is the SMILES notation for ethyl 2-methyliminopropanoate?
The canonical SMILES for ethyl 2-methyliminopropanoate is CCOC(=O)/C(C)=N/C.
What is the InChIKey of ethyl 2-methyliminopropanoate?
The InChIKey is ABPJBAWWEJASFY-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-9-6(8)5(2)7-3/h4H2,1-3H3/b7-5+.
What are the key properties of ethyl 2-methyliminopropanoate?
ethyl 2-methyliminopropanoate has a molecular weight of 129.16 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyliminopropanoate is sourced from PubChem (CID 20717755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).