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
   -3.7264    1.3569   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6784    0.5487   -0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7139   -0.9537   -0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2770   -1.3099   -0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7824   -2.4901   -0.1043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625   -0.1442   -0.1896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2998    0.9948   -0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    2.2002   -0.2274 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9774   -0.1044   -0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6935    0.3348   -1.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937    0.3522   -1.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7790   -0.0709   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0561   -0.5093    0.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6780   -0.5218    0.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5706    2.4166   -0.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7313    0.9768   -0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2426   -1.3115    0.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2386   -1.3343   -1.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1525    0.6656   -2.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6843    0.6912   -2.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8620   -0.0703   -0.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5397   -0.8530    1.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210   -0.8645    1.7412 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