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
   -3.8784    0.4538    0.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7538    0.2213    0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5035   -0.4186   -1.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1223   -0.9403   -1.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5827   -1.9369   -1.6990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4249   -0.1451   -0.1694 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    0.5722    0.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1615    1.3817    1.4633 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9818   -0.0592    0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6607    1.1346   -0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0118    1.2553    0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7055    0.1335    0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0634   -1.0719    0.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7077   -1.1845    0.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8225    0.1726    0.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8731    0.9317    1.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -1.2065   -1.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4297    0.3701   -2.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0663    1.9956   -0.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4574    2.2260   -0.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7687    0.2077    0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6135   -1.9766    0.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1735   -2.1165    0.5461 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