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
   -2.3979   -1.2153    1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0928   -0.5615    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7393   -0.0847   -0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4246    0.6106   -1.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8313    1.0886   -1.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8610    0.8932   -0.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5842    0.2146    0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3059   -0.2673    0.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6713    0.0154    1.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5492   -0.1283    2.0552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4119   -1.5814    1.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7073   -1.4505    1.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8554   -0.3772   -0.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2525    0.7560   -2.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0549    1.6199   -2.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8737    1.2572   -0.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1501   -0.7893    1.5892 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