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
    3.9023    0.8658    0.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7629    0.4399    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5382   -0.7461   -0.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2165   -1.2619   -0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9382   -2.4678   -0.1539 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4511   -0.1153    0.0707 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3874    0.9480    0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414    2.1442    0.6254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9616   -0.0576    0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7407   -1.1698   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1340   -1.1402    0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7801    0.0494    0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0244    1.1806    0.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6377    1.1166    0.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7988    0.3374    0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9457    1.7244    1.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.4394   -1.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3319   -1.4796   -0.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3212   -2.1278   -0.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7072   -2.0643   -0.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8715    0.0917    0.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5310    2.1245    0.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1341    2.0472    0.5538 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