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
    3.6801    1.6269    0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2876    1.7258   -0.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4588    0.6599    0.2557 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7588   -0.6609    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999   -0.9207   -0.6749 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9120   -1.7246    0.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185   -2.9836    0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2893   -1.4046    1.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2909   -0.5835    0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4760    0.7677    0.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4368    1.4817    0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2135    0.8032   -0.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0689   -0.5522   -1.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1119   -1.2233   -0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2021    1.5259   -1.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9994    2.0980   -2.2508 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4392    1.3573   -0.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6738    0.8696    1.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491    2.5975    0.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3388    1.6501   -1.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679    2.6600    0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907   -3.2256   -0.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5886   -3.7619    0.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828   -2.3592    1.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0089   -0.9060    2.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657    1.2943    1.4666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5562    2.5449    0.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6986   -1.0615   -1.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9805   -2.2951   -0.5130 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