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
    2.7300   -0.3304    0.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978   -0.1504   -0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9725    0.0039   -1.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2631    0.0468   -0.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4193   -0.0741    1.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6684   -0.0185    1.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8159    0.1629    0.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6871    0.2870   -0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582    0.2316   -0.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8502    0.1574   -2.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7524    0.2964   -3.6382 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8787   -0.3880    0.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5803    0.5659    1.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310   -1.2793    1.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0048   -0.1501   -1.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4650   -0.2186    1.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7288   -0.1198    2.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8008    0.2108    1.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6086    0.4309   -0.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    0.3358   -2.0761 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