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
   -1.1170    0.5821   -0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4441   -0.5135   -0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9427   -0.4841   -0.8371 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193   -0.0395   -0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5813   -0.0953    0.9524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7036    1.5650   -0.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1653    0.4724   -0.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9133   -1.4871   -0.5322 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