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
    1.6657   -2.3434   -0.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8322   -1.0999   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9075   -0.4585    0.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7664    0.9893    0.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5842    1.9450    0.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5746    1.1363   -0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1020    2.2468   -0.7433 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0099   -0.1316   -0.6713 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950   -0.3301   -1.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4177   -0.3389   -0.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1399    0.8019   -0.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2761    0.7560    0.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7352   -0.4304    0.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0237   -1.5724    0.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9022   -1.5120   -0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8755   -0.8327    0.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286   -0.6749    1.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831    2.9781    0.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    1.7384    1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2265    0.4681   -2.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1169   -1.2941   -2.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8004    1.7616   -0.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8558    1.6475    0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6289   -0.4850    1.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355   -2.5517    1.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3175   -2.4134   -0.3390 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