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
   -2.7811    0.4292   -0.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6935    1.0360   -0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5470    0.2725   -0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5371   -1.0989   -0.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5977   -1.7912    0.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6967   -1.0891    0.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7222    0.2954    0.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5817    0.9432    0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9006    1.0043    1.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8520    1.5578    1.5293 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6364    1.0512   -1.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9505   -0.6217   -1.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6195    2.1236   -0.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3925   -1.6873   -0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6034   -2.8660    0.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5974   -1.6036    1.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6057    2.0446    0.3388 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