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
   -2.9133    0.2764    0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8165   -0.4220    0.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5710   -0.1035    0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4466    0.9639   -0.7312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7501    1.2631   -1.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8503    0.4647   -1.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7354   -0.6068   -0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5486   -0.9002    0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9161   -1.4245   -0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8526   -2.0852    0.0958 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0039    1.1520    0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8320    0.0047    1.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8492   -1.2797    1.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2866    1.6219   -0.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034    2.1220   -2.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7881    0.7107   -1.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4745   -1.7574    1.0208 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