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
   -1.5984    1.7386   -2.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5383    0.3472   -2.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6743   -0.1564   -1.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6044   -1.4439   -0.8339 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1848    0.5118   -0.1537 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0273   -0.1067    0.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5229   -1.0687    1.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7776   -1.4516    2.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7777   -1.7539    3.0212 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9473    2.1869   -1.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2097    2.1850   -2.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1576   -0.1997   -2.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9366   -0.5606    0.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5200    0.7303    1.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1288   -1.9991    1.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.5903    2.4527 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