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
    1.3537    1.2628    2.3299 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5682    0.6037    1.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7155    0.9652    0.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8879   -0.2846   -0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9920   -0.5860   -1.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586   -1.0712   -0.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4177   -2.0645   -1.0294 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8756   -0.5002    0.7426 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4186   -0.9770    1.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5192   -0.3448    0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0673    0.8244    0.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1031    1.4235    0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5819    0.8492   -0.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0484   -0.3168   -1.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0085   -0.9041   -0.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4775    1.8409   -0.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5962    1.1107    1.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0933   -1.5152   -1.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8362    0.0677   -1.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828   -2.0947    1.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5217   -0.7463    2.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7304    1.3126    1.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5314    2.3483    0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3933    1.3318   -1.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4577   -0.7133   -2.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6082   -1.8224   -1.1463 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