Compound

isocyanate

Organic compounds that contain the -NCO radical.

Definition from MeSH (D017953), National Library of Medicine, read 2026-09-23. NLM revises MeSH; this copy may not reflect its current record.

CHEBI:29202ChEBI

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Structure

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A generated conformer of isocyanate — one low-energy arrangement PubChem computed, not a measured structure. Hydrogens are not drawn; the formula counts them.

Class: Organic compound
Formula: CHNO
Mass: 43.025 g/mol
Charge: 0
InChIKey: OWIKHYCFFJSOEH-UHFFFAOYSA-N
SMILES: N=C=O
Look it up: ChEBI PubChem By InChIKey

Identity from ChEBI, geometry from PubChem. Not evidence.

What the reference databases state

Statements

2 statements

2 statements · 1 reference database · Subject: isocyanate · Sources: Rhea

Order

isocyanate is converted to ureaCompoundRhea RHEA:25338Inferred only
urea is converted to isocyanateCompoundRhea RHEA:25338Inferred only

Reactions

2 reactions

urea+hydronisocyanate+ammonium
Reaction pageDirection not assertedBalanced
Rhea RHEA:25338CC BY 4.0Reference data
L-citrulline+hydronisocyanate+L-ornithine
Catalysed by LACC1
Reaction pageLeft to rightBalanced
Rhea RHEA:83407CC BY 4.0Reference data

Other names

9 names

Resolves to: isocyanate

Also called: [C(NH)O]carbimideHN=C=OHNCOhydrogen isocyanateICAmethenamideoxidoazanediidocarbon
Systematic name: isocyanic acid