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
    3.8807    0.6275   -0.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7162    0.0869   -0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5215   -1.2668    0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1024   -1.2553    0.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267   -2.1558    1.3596 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4104   -0.1448    0.0586 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3945    0.6681   -0.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1527    1.7548   -1.1363 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9938    0.0342    0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4885    0.9589    1.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8203    1.2001    1.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7282    0.5007    0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2486   -0.3985   -0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862   -0.6602   -0.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9624    1.6258   -1.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8116    0.0980   -0.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -1.9868   -0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2214   -1.4875    1.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7911    1.4955    1.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2070    1.9184    1.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7753    0.7121    0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9426   -0.9454   -1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5387   -1.3799   -1.3595 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