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
    2.4131   -1.7439   -0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8279   -0.9162   -1.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925    0.0230   -0.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.7823   -1.5909 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4149    0.0570    0.5323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5322    0.8376    1.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9576    0.6284    0.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3546    0.8752   -0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7135    1.0840   -1.6827 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1787   -2.4404   -0.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1068   -1.7159    0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1605   -0.9658   -2.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3306    1.9343    0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4393    0.7557    2.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6154    1.2415    1.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2178   -0.4370    1.0967 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