methyl 3-ethyliminopropanoate

C6H11NO2 — CID 7054794

IUPACmethyl 3-ethyliminopropanoate
SMILESCC/N=C/CC(=O)OC
InChIInChI=1S/C6H11NO2/c1-3-7-5-4-6(8)9-2/h5H,3-4H2,1-2H3/b7-5+
InChIKeyUKDCVQZORGYBLH-FNORWQNLSA-N
MW129.16 g/mol
LogP0.64
Rot. Bonds3

About methyl 3-ethyliminopropanoate

methyl 3-ethyliminopropanoate (PubChem CID 7054794) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl 3-ethyliminopropanoate.

Molecular Properties

Compound Namemethyl 3-ethyliminopropanoate
PubChem CID7054794
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl 3-ethyliminopropanoate
SMILESCC/N=C/CC(=O)OC
InChIInChI=1S/C6H11NO2/c1-3-7-5-4-6(8)9-2/h5H,3-4H2,1-2H3/b7-5+
InChIKeyUKDCVQZORGYBLH-FNORWQNLSA-N
XLogP0.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

Methyl 2-(butylideneamino)acetate
CID 139254783
Methyl 4-(cyanomethylimino)butanoate
CID 135043655
Ethyl 3-ethyliminopropanoate
CID 7838994
Methyl 3-iminopropanoate
CID 13678014
Methyl 2-propyliminoacetate
CID 14449657
Ethyl 3-methyliminopropanoate
CID 18322596
Methyl 3-[2-[(3-methoxy-3-oxopropylidene)amino]ethylimino]propanoate
CID 18322598
Methyl 2-ethyliminoacetate
CID 22138579
Methyl 3-tert-butyliminopropanoate
CID 53859319
Methyl 2,5-dihydropyrimidine-5-carboxylate
CID 54145857
Ethyl 3-butyliminopropanoate
CID 54181998
Methyl 3-cyclopropyliminopropanoate
CID 54218394

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyliminopropanoate?
The IUPAC name of methyl 3-ethyliminopropanoate (CID 7054794) is methyl 3-ethyliminopropanoate.
What is the SMILES notation for methyl 3-ethyliminopropanoate?
The canonical SMILES for methyl 3-ethyliminopropanoate is CC/N=C/CC(=O)OC.
What is the InChIKey of methyl 3-ethyliminopropanoate?
The InChIKey is UKDCVQZORGYBLH-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-7-5-4-6(8)9-2/h5H,3-4H2,1-2H3/b7-5+.
What are the key properties of methyl 3-ethyliminopropanoate?
methyl 3-ethyliminopropanoate has a molecular weight of 129.16 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyliminopropanoate is sourced from PubChem (CID 7054794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).