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

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
    1.5279   -2.0221   -1.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1391   -0.8013   -1.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3452   -0.0408   -0.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0467    1.2596   -1.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7973    2.0209   -0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853    1.5004    1.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8018    0.2104    1.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0438   -0.5612    0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1676   -0.4035    2.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4725   -0.8828    3.6069 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1212   -2.5382   -2.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3308   -2.5986   -0.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4007   -0.3110   -2.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2651    1.6639   -2.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0835    3.0313   -0.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7689    2.0351    1.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2372   -1.5623    0.7188 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