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
    3.8766    0.5792    0.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7440    0.1566    0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4989   -0.8723   -1.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860   -1.2386   -0.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5407   -2.2883   -1.2760 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4164   -0.2225   -0.1357 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276    0.6338    0.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    1.6560    1.0987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -0.0336    0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6577   -0.6240    1.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0246   -0.4013    1.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7373    0.3928    0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0545    0.9809   -0.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6948    0.7564   -0.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8951    1.3341    1.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7962    0.1623    0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1546   -1.7687   -0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7510   -0.4504   -2.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0952   -1.2466    1.7916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5312   -0.8667    2.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8072    0.5305    0.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6327    1.6001   -1.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1917    1.2305   -1.6265 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