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
   -2.6569    0.9855    0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1148   -0.1740    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6876   -0.3430   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1353   -1.5995   -0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2267   -1.7514   -0.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0474   -0.6574   -0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5545    0.6048   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    0.7277    0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181    1.7522    0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1013    2.6810    0.2512 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1537    1.9247    0.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7606    1.0749    0.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7531   -1.0459    0.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8389   -2.4131   -0.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6421   -2.7246   -0.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1378   -0.7644   -0.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897    1.7225    0.2972 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