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
   -3.5189    0.7158   -0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2505    1.0181   -0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2139    0.0950   -0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5419   -0.9862    0.5136 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1420    0.3720   -0.2128 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725   -0.5589    0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037   -0.1331   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4520   -1.1396    0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2088   -1.9193    0.8717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3185    1.3751   -0.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7695   -0.2099    0.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0157    1.9536   -0.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966   -0.8399    1.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9297   -1.5056   -0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7223    0.0220   -1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7014    0.8393    0.5076 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