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
    0.9171   -1.5714    2.1867 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3864   -1.0884    1.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724   -1.7598    0.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8271   -0.7151   -0.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8528   -0.8256   -1.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138    0.3981   -0.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049    1.4301   -1.2494 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0322    0.1796    0.5888 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0052    1.0903    1.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2977    0.8234    0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4376   -0.1836   -0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6691   -0.4103   -1.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7765    0.3585   -0.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6342    1.3653    0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4070    1.5879    0.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2536   -2.0038    0.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9749   -2.6576   -0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1260   -0.0305   -2.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4443   -1.7235   -1.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2713    2.1549    0.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1579    1.0363    2.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5803   -0.7980   -0.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7405   -1.2041   -1.9194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7321    0.1880   -1.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5131    1.9708    0.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3361    2.3884    1.3616 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