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
    1.0282   -2.4074    0.7631 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5559   -1.4880    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9956   -1.1191   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9231    0.3088   -0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8589    1.2032   -0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6370    0.4642   -1.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3631    1.4681   -1.8049 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7844   -0.6400   -0.7949 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5639   -0.8203   -1.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5771   -0.2255   -0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9754    1.0932   -0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9170    1.6840    0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4819    0.9518    1.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1100   -0.3444    1.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1611   -0.9275    0.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5366   -1.3038    0.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4140   -1.7040   -0.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7703    0.9366    0.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7569    2.2345   -0.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6278   -0.3464   -2.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7923   -1.9049   -1.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5349    1.6724   -1.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402    2.7105    0.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2190    1.3737    1.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5561   -0.9170    2.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8671   -1.9525    0.8010 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