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
    3.0166    0.3561    0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9462   -0.0620    0.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6031   -0.0209    0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165    0.4960   -1.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8712    0.5452   -1.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9762    0.0886   -0.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7764   -0.4268    0.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5086   -0.4756    0.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9159   -0.9050    1.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8444   -1.2730    1.6924 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0370    0.7864   -0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9824    0.2878    0.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0350   -0.4834    1.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2018    0.8781   -1.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0417    0.9485   -2.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9720    0.1401   -1.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3324   -0.8799    1.9213 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