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
    2.9774    0.2341    0.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8965   -0.5145    0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6089   -0.0938    0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3616    1.1043   -0.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9033    1.4562   -0.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9602    0.5824   -0.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7202   -0.6296   -0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4704   -0.9662    0.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8026   -1.5687   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6795   -2.3089    0.1005 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9023    1.2081    0.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9219   -0.1299    1.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060   -1.4909    1.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1693    1.8236   -0.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0683    2.4136   -1.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9553    0.8099   -1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2841   -1.9296    0.7960 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