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
   -0.7852   -0.9916   -0.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6247    0.2077   -0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6789    0.7871    0.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6975    0.7297    0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8123    1.7511    0.9267 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8811    0.1409   -0.3298 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8936    0.0062    0.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6136   -0.6789    1.2250 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -1.5555   -1.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2597   -0.7358   -1.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4919   -1.6979   -0.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6562    0.3818    0.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5601    1.6551    1.0767 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