Propyl isocyanate (C4H7NO)

Looking for routes to Propyl isocyanate? Propyl isocyanate presents a C4 framework. Use the planner with prefilled SMILES, or copy CCCN=C=O (CAS 110-78-1).

Target: Propyl isocyanate
CAS: 110-78-1
Formula: C4H7NO
Approx. MW: 85.11
SMILES: CCCN=C=O
PubChem CID: 61033
Approx. carbons: C4

Propyl isocyanate structure

Properties

Molecular weight: 85.11

View on PubChem

Propyl isocyanate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Propyl isocyanate?

Propyl isocyanate has molecular formula C4H7NO. Molecular weight about 85.11 g·mol⁻¹.

What is the CAS number of Propyl isocyanate?

The CAS Registry Number for Propyl isocyanate is 110-78-1.

Run AI retrosynthesis for Propyl isocyanate Target catalog AI tools overview

One click loads Propyl isocyanate into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

3-Methoxypropionitrile Acetone Cyanohydrin Isopropyl isocyanate Methacrylamide

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.