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
   -1.0705    0.4348   -0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6130   -0.2631    0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4595   -1.0204    1.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7543   -0.1494    0.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1362   -0.7434    1.8764 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6544    0.6611    0.1113 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7930    0.9531    0.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0278    0.8443    0.7553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1891    1.5145   -0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0717    0.0764   -1.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3261    0.3652   -1.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4852   -1.1242    0.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1506   -1.5490    1.9457 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