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
    0.8089   -2.3771   -1.2247 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4104   -1.3945   -0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7288   -1.4327   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9239   -0.0749    0.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9197    0.2992    1.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8173    0.7247   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7507    1.9793    0.2044 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8954   -0.0627   -0.7652 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3006    0.4424   -1.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4717    0.3826   -0.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7976    1.4230    0.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8727    1.3911    1.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6547    0.2668    1.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3587   -0.7938    0.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2765   -0.7380   -0.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7853   -2.2231    0.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5605   -1.6388   -0.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6821   -0.4053    1.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9847    1.3148    1.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5412   -0.1038   -2.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1126    1.4920   -1.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831    2.3067    0.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1008    2.2422    1.9147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5101    0.2354    1.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0102   -1.6549    0.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0775   -1.6006   -1.0601 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