Monomers

(E)-2-phenylbut-2-enenitrile

Identifiers

IUPAC name
(E)-2-phenylbut-2-enenitrile
InchI
InChI=1S/C10H9N/c1-2-9(8-11)10-6-4-3-5-7-10/h2-7H,1H3/b9-2-
InchI Key
ZYBPSQSGQRMLDY-MBXJOHMKSA-N
SMILES
C/C=C(\c1ccccc1)/C#N
Canonical SMILES
CC=C(C#N)C1=CC=CC=C1
Isomeric SMILES
C/C=C(/C#N)\C1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H9N
Heavy Atom Count
11
Molecular Weight
143.189
Exact Molecular Weight
143.0735
Valence Electrons
54
Radical Electrons
0
tPSA
23.79
MolLogP
2.6135
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

 20 20  0  0  0  0  0  0  0  0999 V2000
   -2.0198    1.0046   -1.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0700   -0.2696   -0.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792   -0.8051   -0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1596   -0.3550    0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7833    0.6901   -0.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0390    1.1428   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6775    0.5558    0.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0711   -0.5144    1.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8442   -0.9257    1.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5622   -2.1010    0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8475   -3.0507    0.8624 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202    1.2957   -1.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6730    1.8313   -1.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5422    1.0166   -2.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0148   -0.8277   -1.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3887    1.1992   -1.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009    1.9796   -0.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    0.8684    1.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5641   -0.9806    2.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3628   -1.7541    1.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  3 10  1  0
 10 11  3  0
  9  4  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers