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
    3.9501   -0.2867    0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516   -0.0914   -0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4392    0.8813   -1.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368    1.1966   -0.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4556    2.2685   -1.1189 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4371    0.0772   -0.1508 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952   -0.7178    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628   -1.7832    0.9891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9712   -0.0736   -0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7519    0.6073    0.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1269    0.4448    0.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7574   -0.4078    0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9880   -1.0853   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.9289   -0.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7833    0.2641    0.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1178   -1.0137    1.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5676    0.4473   -2.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266    1.7518   -1.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2210    1.2647    1.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7146    0.9849    1.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8317   -0.5421    0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5104   -1.7543   -1.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0549   -1.5039   -1.6964 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