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
   -2.9049   -0.0450   -0.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8980   -0.7423   -0.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5905   -0.1617   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3007    1.1558   -0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872    1.6372   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9639    0.8083    0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6975   -0.5199    0.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4141   -0.9853    0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978   -1.4235    1.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5119   -2.1362    1.5831 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8634    1.0142   -1.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8724   -0.4943   -1.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0767   -1.7879   -0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0524    1.8250   -0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1452    2.6832   -0.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552    1.1739    0.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1861   -2.0016    0.5580 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