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
   -3.8513    0.8675    0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7304    0.1910    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5659   -1.2819    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1342   -1.4247    0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6498   -2.4524    0.9655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4101   -0.2523    0.0946 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3986    0.7534   -0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1659    1.9327   -0.4602 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9908   -0.0450   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8733   -0.9815   -0.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2110   -0.7295   -0.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7488    0.4740   -0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8700    1.4074    0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5137    1.1765    0.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8032    0.3661    0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8711    1.9481    0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7286   -1.6661   -0.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2530   -1.8182    0.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4695   -1.9286   -0.8463 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9266   -1.4629   -1.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192    0.6581   -0.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3093    2.3490    0.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8299    1.9191    0.8228 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