Monomers

Ethyl 2-[(4-cyanophenyl)methyl]prop-2-enoate

Identifiers

IUPAC name
ethyl 2-[(4-cyanophenyl)methyl]prop-2-enoate
InchI
InChI=1S/C13H13NO2/c1-3-16-13(15)10(2)8-11-4-6-12(9-14)7-5-11/h4-7H,2-3,8H2,1H3
InchI Key
KDRGWPUUJFOAEY-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)Cc1ccc(cc1)C#N
Canonical SMILES
CCOC(=O)C(=C)CC1=CC=C(C=C1)C#N
Isomeric SMILES
CCOC(=O)C(=C)CC1=CC=C(C=C1)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C13H13NO2
Heavy Atom Count
16
Molecular Weight
215.252
Exact Molecular Weight
215.0946
Valence Electrons
82
Radical Electrons
0
tPSA
50.09
MolLogP
2.2201
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 29 29  0  0  0  0  0  0  0  0999 V2000
    2.8010    1.9086   -0.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2287    0.9018   -1.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032   -0.0493   -1.2727 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7742   -0.9299   -0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9974   -0.8308    0.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9271   -1.9219    0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4314   -2.7028    1.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4824   -2.1195    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3110   -0.8836    0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5991   -0.0301   -0.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3512    1.1016   -0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8223    1.3837    0.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5146    0.4987    1.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7648   -0.6343    1.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083    2.5636    0.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2315    3.5324    1.1638 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5168    1.4340   -0.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3989    2.6291   -1.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0442    2.5038   -0.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0606    0.4733   -2.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5762    1.4883   -2.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8686   -3.4617    1.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -2.5806    1.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9515   -2.9601    0.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5294   -2.3969   -1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2580   -0.2061   -1.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6008    1.8100   -1.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9094    0.7627    2.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5603   -1.2842    2.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 12 15  1  0
 15 16  3  0
 14  9  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  2 20  1  0
  2 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
  8 25  1  0
 10 26  1  0
 11 27  1  0
 13 28  1  0
 14 29  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers