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
    3.7629    1.2512    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6893    0.5085    0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6420   -0.9489    0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2595   -1.3150    0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9231   -2.5068   -0.0716 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4598   -0.1459    0.2130 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198    1.0003    0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    2.2098    0.3214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9772   -0.1138    0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7105   -0.7613   -0.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1041   -0.7148   -0.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7598    0.0112    0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0536    0.6693    1.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6778    0.6041    1.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7355    0.7931    0.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6983    2.3128    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8546   -1.1259    1.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983   -1.5182    0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2185   -1.3386   -1.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6805   -1.2306   -1.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8556    0.0270    0.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5775    1.2239    1.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0572    1.1087    1.8831 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