Monomers

Methacryloyl isocyanate

Identifiers

IUPAC name
2-methylprop-2-enoyl isocyanate
InchI
InChI=1S/C5H5NO2/c1-4(2)5(8)6-3-7/h1H2,2H3
InchI Key
JEHFRMABGJJCPF-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)N=C=O
Canonical SMILES
CC(=C)C(=O)N=C=O
Isomeric SMILES
CC(=C)C(=O)N=C=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H5NO2
Heavy Atom Count
8
Molecular Weight
111.1
Exact Molecular Weight
111.032
Valence Electrons
42
Radical Electrons
0
tPSA
46.5
MolLogP
0.4249
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

 13 12  0  0  0  0  0  0  0  0999 V2000
   -1.7208   -0.6315    0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5006    0.0936   -0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4176    1.3804    0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5903   -0.6444   -0.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5747   -1.8712   -0.8666 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.0742   -1.0365 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7035    0.1242   -0.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7434   -0.0441    0.4703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1021   -0.1354    1.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4567   -0.5479   -0.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4424   -1.6642    0.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4774    1.9031   -0.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2033    1.9631    0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  2  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers