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
    3.8385    0.7841    0.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7364    0.2048    0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5459   -1.1057   -0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1858   -1.4648   -0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7210   -2.6141    0.1472 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4498   -0.2832    0.0582 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4039    0.7812    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1141    1.9788    0.3246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9771   -0.0674    0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8316   -0.9585    0.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2009   -0.7059    0.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7222    0.4332    0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8812    1.3287   -0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310    1.0672   -0.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8358    1.7456    0.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7772    0.2745    0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3356   -1.7816   -0.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4629   -0.9660   -1.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4437   -1.8556    1.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8803   -1.4100    1.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7975    0.6309    0.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2949    2.2408   -0.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8465    1.7429   -0.9222 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