Monomers

2-Cyanoethyl acrylate

Identifiers

IUPAC name
2-cyanoethyl prop-2-enoate
InchI
InChI=1S/C6H7NO2/c1-2-6(8)9-5-3-4-7/h2H,1,3,5H2
InchI Key
AEPWOCLBLLCOGZ-UHFFFAOYSA-N
SMILES
C=CC(=O)OCCC#N
Canonical SMILES
C=CC(=O)OCCC#N
Isomeric SMILES
C=CC(=O)OCCC#N
Resources

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
    2.7729   -1.5729    0.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6776   -1.1473    1.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8537   -0.1323    0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1764    0.3373   -0.6324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3099    0.3636    1.0540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1177    1.3343    0.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6717    0.9111   -0.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4697   -0.2816   -0.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1192   -1.2288   -0.6093 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4180   -2.3205    0.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0809   -1.1836   -0.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4328   -1.5726    2.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5577    2.2944    0.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9260    1.6067    1.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3660    1.7500   -1.1905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8744    0.8423   -1.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  3  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers