Monomers

2,5-Pyrrolidinedione, 3-methylene-1-phenyl-

Identifiers

IUPAC name
3-methylidene-1-phenylpyrrolidine-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-6H,1,7H2
InchI Key
JLLCBHHFPWVBQP-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)c1ccccc1
Canonical SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC=C2
Isomeric SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC=C2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.5061
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -3.8881    0.9178   -0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7492    0.2754   -0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5469   -1.1164    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1498   -1.1049    0.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.8240    1.7707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482   -0.1144    0.1149 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4167    0.7465   -0.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2176    1.7470   -1.2048 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9824   -0.0013   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7648   -1.1271   -0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1321   -1.0251   -0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208    0.2099   -0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9913    1.3643   -0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6211    1.2157    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7814    0.4267    0.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9235    1.9337   -0.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5645   -1.7519   -0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2630   -1.4545    1.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2982   -2.1021   -0.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7529   -1.9167   -0.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8010    0.2522   -0.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4817    2.3366   -0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0533    2.1124    0.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 14  9  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
 13 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers