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
    3.8820   -0.0494    0.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238   -0.2235    0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4591   -0.3319   -1.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478    0.3607   -1.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7519    1.0979   -2.3112 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4506    0.0139   -0.1622 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4066   -0.3555    0.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1791   -0.7270    2.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9694    0.0349   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7612   -1.0861   -0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1427   -1.0286    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7128    0.1909    0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9246    1.3359    0.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5664    1.2496    0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8246    0.0396    0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8939    0.0075    1.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642   -1.4242   -1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2461    0.1539   -1.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -2.0163   -0.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7327   -1.9261   -0.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7931    0.2634    0.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4568    2.2528    0.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9993    2.1676    0.3704 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