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
   -3.7404    1.0863    0.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6743    0.4345    0.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7039   -0.9218   -0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2560   -1.2348   -0.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9116   -2.3518   -0.9181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4541   -0.1241   -0.0531 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2981    0.8881    0.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8523    2.0056    0.8832 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9594   -0.0561   -0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7290    0.6105    0.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1031    0.6650    0.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7643    0.0591   -0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0188   -0.6078   -1.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440   -0.6561   -1.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7402    2.0689    1.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7415    0.6370    0.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1196   -1.6751    0.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2216   -0.9529   -1.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2677    1.1090    1.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7118    1.1924    1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8716    0.1179   -0.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5420   -1.0968   -2.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019   -1.1970   -1.9681 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