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
   -1.0630    0.5535   -0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5289   -0.6096    0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7684   -0.9550   -0.3434 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7404   -0.1583   -0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6885    0.4749    0.2445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5680    1.2870   -0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0355    0.7769    0.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0020   -1.3695    0.7646 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