Methyl 3-cyanopropanoate (C5H7NO2)

Methyl 3-cyanopropanoate (C5H7NO2; CAS 4107-62-4) is a practical retrosynthesis target. Methyl 3-cyanopropanoate presents a C5 framework, basic nitrogen. Open AI route search in one click below.

Target: Methyl 3-cyanopropanoate
CAS: 4107-62-4
Formula: C5H7NO2
Approx. MW: 113.12
SMILES: COC(=O)CCC#N
PubChem CID: 77749
Approx. carbons: C5

Methyl 3-cyanopropanoate structure

Properties

IUPAC name: methyl 3-cyanopropanoate
Common names: Methyl 3-cyanopropanoate; 4107-62-4; Propanoic acid, 3-cyano-, methyl ester; Methyl beta-cyanopropionate; 3-Cyanopropionic acid, methyl ester; Methyl .beta.-cyanopropionate; Propionic acid, 3-cyano-, methyl ester; BPSKURPOKFSLHJ-UHFFFAOYSA-; DTXSID80194032; RefChem:157473
Molecular weight: 113.11
Exact mass: 113.05
InChIKey: BPSKURPOKFSLHJ-UHFFFAOYSA-N

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Methyl 3-cyanopropanoate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Methyl 3-cyanopropanoate?

Methyl 3-cyanopropanoate has molecular formula C5H7NO2. Molecular weight about 113.12 g·mol⁻¹.

What is the CAS number of Methyl 3-cyanopropanoate?

The CAS Registry Number for Methyl 3-cyanopropanoate is 4107-62-4.

Run AI retrosynthesis for Methyl 3-cyanopropanoate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C5H7NO2.

Related targets

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Ethyl Cyanoacetate 1-Methyl-2-Pyrrolidinone 2-(propan-2-yloxy)ethan-1-amine 2-Methyl-3-Butenenitrile 3-(aminopropyl)ethylenediamine 3-Aminopentane

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.