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
-0.9940 -1.0201 0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3859 0.1103 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5315 0.1621 -0.8480 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5875 0.8864 -0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3104 1.8247 -1.2138 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7846 -1.9125 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6967 -1.0823 1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5682 1.0314 0.7711 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