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
    1.3374    2.3779    0.8235 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7002    1.2804    0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9748    0.5916    0.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8571   -0.7460   -0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7120   -1.7437    0.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6420   -0.7370   -0.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759   -1.6667   -1.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9505    0.4779   -0.5992 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3024    0.8362   -1.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4760    0.4213   -0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0560   -0.8098   -0.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1628   -1.1972    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7127   -0.3496    1.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1421    0.9001    1.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0235    1.2657    0.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8212    1.1485    0.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2040    0.5113    1.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5645   -2.7008   -0.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5791   -1.6234    0.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3018    1.9413   -1.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3874    0.3633   -2.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6643   -1.5315   -1.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5955   -2.1735   -0.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5879   -0.6279    1.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5808    1.5404    1.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6256    2.2512    0.6840 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