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
    1.9903    1.6401   -1.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    0.4422   -1.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4504    0.2030   -0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0555    1.2055    0.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0598    0.8914    1.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5209   -0.4022    1.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0178   -1.4100    0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0341   -1.1062   -0.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5312   -2.7728    0.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9286   -3.8458    0.8687 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7729    1.7770   -2.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6964    2.5030   -0.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8472   -0.4061   -1.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3121    2.2107    0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4779    1.6523    1.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3095   -0.6869    2.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3678   -1.8952   -0.9061 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