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
    2.5152    1.0345   -1.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0235   -0.1218   -0.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6706   -0.3004   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2392   -1.5797    0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0440   -1.7620    0.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9073   -0.6961    0.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5160    0.5805    0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2177    0.7424   -0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4108    1.7141    0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1281    2.6167    0.7012 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9320    1.9244   -0.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5246    1.0995   -1.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6498   -0.9998   -0.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -2.4310    0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3786   -2.7584    0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9330   -0.8310    1.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0600    1.7682   -0.2802 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