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
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
-1.2761 0.3796 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2858 0.2012 0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6278 -0.8827 0.4818 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6095 -0.8990 -0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7876 -0.5713 -0.6258 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3963 -0.3297 -1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9311 1.2159 -0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1356 0.8859 1.4038 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