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
   -3.7869   -0.1181   -1.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7093    0.1409   -0.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5764    0.2765    0.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2527   -0.4083    1.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9017   -1.1790    2.0153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532    0.0204   -0.0294 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3438    0.3647   -1.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0082    0.7809   -2.2129 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9682    0.0474    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5936   -1.0815    0.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9629   -1.1866    0.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7345   -0.1136    0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119    1.0267   -0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7434    1.1132   -0.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8124   -0.2028   -2.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7289   -0.2612   -0.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3973    1.3427    1.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3768   -0.1973    1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -1.9416    0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4265   -2.0814    1.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8010   -0.2097    0.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7575    1.8620   -0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2678    2.0059   -0.7362 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