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
    3.6433    1.6883   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6163    0.8430   -0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6841   -0.6192   -0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4019   -1.0799    0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2592   -2.2118    0.6338 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4397   -0.0167   -0.0057 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1955    1.1655   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6843    2.3024   -0.3891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9723   -0.1918    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6327   -1.0166   -0.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9968   -1.1978   -0.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7106   -0.5381    0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0723    0.3010    1.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7239    0.4497    1.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4798    2.7382    0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6642    1.3449   -0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6861   -0.7850   -1.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5639   -1.0740    0.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309   -1.5218   -1.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5272   -1.8434   -1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7829   -0.6412    0.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6695    0.8085    1.9426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1993    1.0957    1.7491 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