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
   -3.2033    2.3524    0.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7096    2.1055    0.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3223    0.8472    0.3058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7976   -0.3604    0.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6591   -0.3450    1.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3161   -1.5860    0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927   -2.7320    0.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3301   -1.5728   -0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9613   -0.9605   -0.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2351    0.3075   -1.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4495    0.9382   -0.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4183    0.2959   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1585   -0.9782    0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9547   -1.5867    0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    0.8962    0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7142    1.3978    0.5153 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4122    3.3899    0.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4492    2.2673   -0.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7975    1.6370    1.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086    2.1820    1.8778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1527    2.8806    0.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5239   -2.7513    1.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4755   -3.6878    0.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7783   -1.0414   -1.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1731   -2.6151   -1.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5314    0.8956   -1.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6337    1.9380   -1.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8910   -1.5266    0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7699   -2.5875    0.5003 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