Monomers

2-Propenenitrile, 3-phenyl-

Identifiers

IUPAC name
3-phenylprop-2-enenitrile
InchI
InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H
InchI Key
ZWKNLRXFUTWSOY-UHFFFAOYSA-N
SMILES
N#CC=Cc1ccccc1
Canonical SMILES
C1=CC=C(C=C1)C=CC#N
Isomeric SMILES
C1=CC=C(C=C1)C=CC#N
Resources

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
2.2234
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
    4.7889   -0.9676    1.0076 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7358   -0.5186    0.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4457    0.0225    0.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3710   -0.7161    0.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0405   -0.2281    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2154    1.0825   -0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5164    1.4952   -0.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5842    0.6242   -0.5745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3256   -0.6920   -0.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0358   -1.1085    0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    1.0783    0.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5006   -1.7834    0.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6004    1.7908   -0.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6668    2.5424   -0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5900    0.9431   -0.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500   -1.4187   -0.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8239   -2.1458    0.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  3 11  1  0
  4 12  1  0
  6 13  1  0
  7 14  1  0
  8 15  1  0
  9 16  1  0
 10 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers