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
   -1.0412   -1.6320    2.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2715   -1.8183    1.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0576   -0.7347    0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8187   -1.0118   -0.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1472   -0.0050   -1.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7175    1.2797   -1.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0325    1.6173   -0.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3592    0.5696    0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5104    2.9611   -0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8799    4.0451    0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2734   -2.4627    2.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4450   -0.6606    2.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1433   -2.7945    0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1473   -2.0518   -1.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360   -0.2445   -2.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9976    2.0846   -2.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9520    0.8585    1.2584 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