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
   -2.7306   -0.9617    0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1328   -0.0086   -0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6948    0.1782   -0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204    1.2313   -0.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2302    1.4814   -0.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0938    0.6895   -0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5512   -0.3466    0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1809   -0.6087    0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093   -1.2064    1.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1274   -1.8971    1.8480 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7979   -1.1414    0.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1555   -1.6457    0.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7470    0.6733   -0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8156    1.8610   -1.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6378    2.3025   -1.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1670    0.8464   -0.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2031   -1.4474    1.0729 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