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
    3.6989   -0.0238    1.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6955   -0.7200    0.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7737   -1.6892    1.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6301   -0.5776    1.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488   -0.3147    2.4561 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4991   -0.2581   -0.0620 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8423   -0.3348   -0.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2534   -0.2065   -1.7221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7831    0.1486   -0.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9105   -0.6167   -0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1784   -0.1676   -0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3879    1.1039   -0.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2858    1.8528   -1.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9574    1.3891   -1.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9723    0.5732   -0.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4299    0.4865    1.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8801   -2.2391    2.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3996   -2.3263    0.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034   -1.5838    0.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0506   -0.7583   -0.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4110    1.4394   -1.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4249    2.8570   -1.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1309    1.9660   -1.4646 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