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
    3.2529   -1.0591    2.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2002   -0.3970    1.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7918    0.9849    2.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9006    1.3688    0.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7611    2.5598    0.4941 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3720    0.1408    0.3899 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1133   -0.9655    0.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9119   -2.1854    0.6521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7669    0.0666   -0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0223    0.4731   -0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1467    0.4156   -0.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9904   -0.1087   -2.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7553   -0.5232   -2.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6548   -0.4462   -1.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0670   -0.6335    2.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4328   -2.1035    1.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6660    1.6620    1.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2622    1.0411    2.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1443    0.8766    0.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1320    0.7201   -0.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8323   -0.1856   -2.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6213   -0.9310   -3.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3346   -0.7707   -2.0696 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