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
    0.8438    1.8771   -2.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3122    0.7176   -1.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1178    0.2653   -0.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.0509    0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2723    0.5457    1.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2969   -0.6918    1.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -1.4882    0.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4596   -0.9906   -0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2723   -2.7850    1.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7665   -3.8164    1.3134 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1712    2.5710   -1.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9702    2.1752   -3.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    0.0727   -2.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9452    2.0347    0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5588    1.1472    2.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4694   -1.0885    2.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7487   -1.5968   -1.2039 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