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
   -2.4322    1.4282    0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2485   -0.0118    0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1944   -0.7172   -0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2068   -0.3623   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6873    0.8995    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0452    1.2532   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9332    0.2382   -0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5267   -1.0682   -0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1822   -1.3509   -0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4742   -2.1618   -0.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6745   -3.2912   -0.4233 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5489    1.6742    0.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0130    1.8062    1.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1422    1.9637   -0.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2367   -0.5602    0.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0060    1.7159    0.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3316    2.2901    0.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9864    0.4900   -0.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2486   -1.8612   -0.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8226   -2.3743   -0.4890 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