Monomers

3-Ethenylbenzonitrile

Identifiers

IUPAC name
3-ethenylbenzonitrile
InchI
InChI=1S/C9H7N/c1-2-8-4-3-5-9(6-8)7-10/h2-6H,1H2
InchI Key
FDIHXBYYQCPWDX-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C#N
Canonical SMILES
C=CC1=CC(=CC=C1)C#N
Isomeric SMILES
C=CC1=CC(=CC=C1)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H7N
Heavy Atom Count
10
Molecular Weight
129.162
Exact Molecular Weight
129.0578
Valence Electrons
48
Radical Electrons
0
tPSA
23.79
MolLogP
2.2013
H Bond Acceptors
1
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

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.1962   -1.8751    0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9474   -0.7164   -0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6853   -0.0182   -0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5004    1.2195   -0.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6773    1.9193   -0.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6676    1.3457   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5405    0.1372    0.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3233   -0.5481    0.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5967   -0.4368    1.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4419   -0.9057    2.0343 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4689   -2.3685    0.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1469   -2.3796   -0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7564   -0.2723   -1.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2963    1.6563   -1.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8597    2.8738   -1.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6315    1.8648    0.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2593   -1.4960    0.9788 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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  3  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  8 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers