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
    2.6357    1.0410   -1.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5646    1.3314   -0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5097    0.3665   -0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5504   -0.9296   -0.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4813   -1.8322   -0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5669   -1.4133    0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6365   -0.1115    0.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187    0.7441    0.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7961    0.3164    1.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7082    0.6743    2.2521 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8216    0.0603   -1.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3870    1.8208   -1.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4192    2.3361   -0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4142   -1.2698   -1.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351   -2.8424   -0.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4021   -2.0629    0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6575    1.7706    0.9127 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