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
   -1.0081   -0.5271    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5481    0.6716   -0.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7901    1.0000    0.2977 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7319    0.1535    0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5865   -0.6334   -0.3151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9952   -0.7918   -0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4260   -1.2532    0.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1311    1.3803   -0.6673 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