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
   -1.7941    0.4949    2.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4650   -0.5104    1.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4816   -0.3867    0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2286   -1.5211   -0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6904   -1.4741   -1.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491   -0.3052   -1.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1325    0.8455   -0.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1920    0.7722    0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8317    2.0670   -1.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3810    3.0625   -1.4276 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3148    1.4402    2.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5408    0.3678    3.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9835   -1.4487    1.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7546   -2.4578   -0.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8787   -2.3772   -1.9751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837   -0.2424   -2.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0239    1.6736    0.6670 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