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
    3.8559   -0.0065   -1.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7274    0.0703   -0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005   -0.1453    1.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -0.6916    1.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8514   -1.5393    1.9719 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4283   -0.1054    0.0810 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3766    0.3673   -0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1223    0.9593   -1.9608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9886   -0.0224    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6245    1.2184    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923    1.3279    0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7845    0.2206   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1908   -1.0241   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8011   -1.1183   -0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7800   -0.2405   -0.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9182    0.1511   -2.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3122   -0.9236    1.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056    0.7998    1.6231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0049    2.0818    0.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4936    2.3008    0.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8602    0.3201   -0.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8064   -1.9051   -0.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3451   -2.0951   -0.1869 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