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

IUPAC name: 2-methylbut-3-enenitrile
Common names: 2-METHYL-3-BUTENENITRILE; 16529-56-9; 3-Butenenitrile, 2-methyl-; 3-Cyanobut-1-ene; CCRIS 6056; DTXSID5025578; 2-Methyl-3-butenonitrile; EINECS 240-596-1; 5UB332ATH2; DTXCID805578
Molecular weight: 81.12
Exact mass: 81.06
InChIKey: WBAXCOMEMKANRN-UHFFFAOYSA-N
Density: 0.813 at 69.1 °F (NTP, 1992) - Less dense than water; will float

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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

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Related targets

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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.