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
   -1.0391    1.5020   -1.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0153    0.4426   -0.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1060   -0.2097   -0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2663    0.2027    0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3131    0.8067   -0.0042 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2890   -0.7741    1.2583 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5565   -1.0246    1.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4496   -1.4405    0.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0709   -1.7258   -0.0894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    2.5125   -1.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1654    1.3586   -2.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9422    1.3350   -2.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0927   -0.9613    0.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0146    0.0055   -0.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9672   -0.1372    2.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4129   -1.8926    2.5437 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