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
    2.8138    0.7921   -0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1068   -0.2721   -0.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6671   -0.3280   -0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0259   -1.5037   -0.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3938   -1.5747   -0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1418   -0.5165    0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4808    0.6445    0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1087    0.7092    0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2349    1.7826    0.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8215    2.7035    1.2238 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3359    1.6836    0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9048    0.8039   -0.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6348   -1.1431   -0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5187   -2.3639   -0.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9252   -2.5033   -0.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2209   -0.5708    0.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3715    1.6566    0.4712 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