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
   -3.8452   -0.3077   -0.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7326    0.0123   -0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4796    1.1628    0.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0362    1.3986    0.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4617    2.5062    0.4300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390    0.1657   -0.0176 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4673   -0.7068   -0.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3078   -1.9034   -0.8201 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9663   -0.1032    0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290   -0.0577    1.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9892   -0.3176    1.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7288   -0.6318    0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0725   -0.6790   -0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7055   -0.4173   -1.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7179    0.3139   -0.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9776   -1.1743   -1.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7242    0.9541    1.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0171    2.0772    0.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0338    0.1927    2.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4889   -0.2739    2.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7954   -0.8345    0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223   -0.9251   -1.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1748   -0.4510   -1.9966 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