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
   -3.8233    0.8306    0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7288    0.1271    0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5714   -1.2046   -0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1627   -1.1528   -0.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7574   -1.7926   -1.7591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4089   -0.2589    0.0152 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3598    0.5298    0.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1157    1.4425    1.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9957   -0.0845    0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4939    1.2239    0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8330    1.4955    0.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7348    0.4670    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2587   -0.8159    0.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9062   -1.1033    0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7614    1.7865    1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8103    0.5031    0.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2953   -1.3166   -1.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7051   -2.0313    0.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7370    2.0227    0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2046    2.5028    0.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8069    0.6109    0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -1.6338    0.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5540   -2.1480    0.0216 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