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
-0.6709 -0.7849 -0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7016 0.4827 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1986 0.9740 0.8296 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 0.6872 0.6875 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4865 0.0919 0.9294 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3555 -1.1624 -1.2115 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0453 -1.4260 0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4307 1.1374 -0.6296 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