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
   -0.9475    0.6447    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6106   -0.5780   -0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6543   -1.1027    0.1651 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875   -0.3620    0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6600    0.3060   -0.1134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8905    1.0401   -0.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703    1.2522    0.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2829   -1.2003   -0.7927 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