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
   -1.2899   -0.2464   -0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3306    0.6025    0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9647    0.4462   -0.4889 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9445   -0.0443    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6846   -0.9650    0.5787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2772   -0.1128    0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1403   -1.1181   -0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5558    1.4379    0.6463 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