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
    3.8031    0.7085    0.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7122    0.1364    0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5413   -0.8383   -1.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1977   -0.4817   -1.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8372   -0.5628   -2.7503 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4437   -0.0511   -0.4045 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3524    0.3408    0.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0344    0.7783    1.7713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9777   -0.0377   -0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5999    1.1842   -0.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9767    1.2749   -0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7251    0.1365   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1370   -1.1093   -0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7453   -1.1573   -0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7697    0.4784    0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7393    1.4104    1.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6023   -1.8857   -0.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3048   -0.7169   -1.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9851    2.0840   -0.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4478    2.2452   -0.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8102    0.1730   -0.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7035   -1.9976    0.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2299   -2.1123    0.0068 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