Monomers

Vinyl isocyanate

Identifiers

IUPAC name
isocyanatoethene
InchI
InChI=1S/C3H3NO/c1-2-4-3-5/h2H,1H2
InchI Key
WARQUFORVQESFF-UHFFFAOYSA-N
SMILES
C=CN=C=O
Canonical SMILES
C=CN=C=O
Isomeric SMILES
C=CN=C=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C3H3NO
Heavy Atom Count
5
Molecular Weight
69.063
Exact Molecular Weight
69.0215
Valence Electrons
26
Radical Electrons
0
tPSA
29.43
MolLogP
0.4657
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -1.4545    0.2254   -0.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2918   -0.3128    0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8074    0.5621    0.2618 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9639    0.0148    0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1659   -0.0192    0.5870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3496   -0.3814   -0.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5885    1.2859   -0.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2529   -1.3749    0.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  2  0
  1  6  1  0
  1  7  1  0
  2  8  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers