Monomers

Cyanomethyl 2-methylprop-2-enoate

Identifiers

IUPAC name
cyanomethyl 2-methylprop-2-enoate
InchI
InChI=1S/C6H7NO2/c1-5(2)6(8)9-4-3-7/h1,4H2,2H3
InchI Key
KXTNMKREYTVOMX-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCC#N
Canonical SMILES
CC(=C)C(=O)OCC#N
Isomeric SMILES
CC(=C)C(=O)OCC#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7NO2
Heavy Atom Count
9
Molecular Weight
125.127
Exact Molecular Weight
125.0477
Valence Electrons
48
Radical Electrons
0
tPSA
50.09
MolLogP
0.6293
H Bond Acceptors
3
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

 16 15  0  0  0  0  0  0  0  0999 V2000
   -1.8649    0.2151   -1.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2466   -0.3049   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0754   -0.7987    0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1850   -0.2799    0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6161   -0.7388    1.2824 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1094    0.2213   -0.6967 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4919    0.2214   -0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8056    0.9965    0.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0440    1.5940    1.7480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6644   -0.4974   -1.5923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1097    0.3048   -2.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3667    1.1876   -1.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1416   -0.8389    0.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6648   -1.1793    1.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8919   -0.7972   -0.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9903    0.6945   -1.3008 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  1  0
  7  8  1  0
  8  9  3  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  7 15  1  0
  7 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers