Monomers

1-Benzyl-3-methylenepyrrolidine-2,5-dione

Identifiers

IUPAC name
1-benzyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-6H,1,7-8H2
InchI Key
OGHZHVONWMXUPW-UHFFFAOYSA-N
SMILES
O=C1CC(=C)C(=O)N1Cc1ccccc1
Canonical SMILES
C=C1CC(=O)N(C1=O)CC2=CC=CC=C2
Isomeric SMILES
C=C1CC(=O)N(C1=O)CC2=CC=CC=C2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.5017
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

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.3345    0.3693    2.7342 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5301    0.3252    1.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3968    1.2346    0.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9496    0.2759   -0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487    0.2615   -0.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8255   -0.6491   -0.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7002   -1.3360   -1.6548 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9744   -0.5893    0.5381 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2378   -1.3372    0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.6516    0.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3531    0.6023   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4942    1.2569   -0.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7309    0.6508   -0.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7865   -0.6042   -0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -1.2637    0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1949    1.6971    1.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7885    1.9920    0.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8674    0.9944   -0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4031   -0.4856   -1.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3428   -1.5458    1.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1778   -2.3353    0.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3699    1.0494   -0.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3616    2.2494   -1.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6196    1.1604   -1.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7822   -1.0584   -0.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7701   -2.2630    0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  8  2  1  0
 15 10  1  0
  3 16  1  0
  3 17  1  0
  5 18  1  0
  5 19  1  0
  9 20  1  0
  9 21  1  0
 11 22  1  0
 12 23  1  0
 13 24  1  0
 14 25  1  0
 15 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers