2-Methyl-3-Butenenitrile (C5H7N)

Looking for routes to 2-Methyl-3-Butenenitrile? 2-Methyl-3-Butenenitrile presents a C5 framework, basic nitrogen, unsaturation. Use the planner with prefilled SMILES, or copy C=CC(C)C#N (CAS 16529-56-9).

Target: 2-Methyl-3-Butenenitrile
CAS: 16529-56-9
Formula: C5H7N
Approx. MW: 81.12
SMILES: C=CC(C)C#N
PubChem CID: 27909
Approx. carbons: C5

2-Methyl-3-Butenenitrile structure

Properties

Molecular weight: 81.12

View on PubChem

2-Methyl-3-Butenenitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Methyl-3-Butenenitrile?

2-Methyl-3-Butenenitrile has molecular formula C5H7N. Molecular weight about 81.12 g·mol⁻¹.

What is the CAS number of 2-Methyl-3-Butenenitrile?

The CAS Registry Number for 2-Methyl-3-Butenenitrile is 16529-56-9.

Run AI retrosynthesis for 2-Methyl-3-Butenenitrile Target catalog AI tools overview

One click loads 2-Methyl-3-Butenenitrile into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

N-Methyl-N-vinylacetamide N-Methylmaleimide 1-Cyanoallyl acetate 2-Chloroacrylonitrile Acrylamide Allylurea

Browse the full target catalog

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.