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
    1.0018   -2.4487    0.7800 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5190   -1.4773    0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9471   -1.0937    0.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9354    0.3591    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8518    1.2081    0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380    0.5604   -0.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5055    1.6014   -1.4890 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8710   -0.5602   -0.6709 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4212   -0.7077   -1.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -0.1866   -0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2630    0.3648    0.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3228    0.8610    1.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6184    0.8043    1.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8571    0.2491   -0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8118   -0.2509   -0.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3575   -1.2937    1.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4924   -1.6003   -0.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7112    0.9348    0.9896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7666    2.2566    0.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4383   -0.2237   -2.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5911   -1.7960   -1.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2730    0.4416    1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    1.2973    2.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4683    1.1752    1.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8673    0.1963   -0.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0813   -0.6714   -1.9535 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