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
   -1.5738    2.5115    0.1217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6877    1.2396    0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6741    0.4610    0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9146   -0.7171   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9978   -1.4711   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6681   -0.8820   -0.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -1.9146   -1.3781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9295    0.3318   -0.7123 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3469    0.6759   -1.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    0.3760   -0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9857    1.2936    0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0573    1.0146    1.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6696   -0.2269    1.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1883   -1.1628    0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1173   -0.8537   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2247    0.0690    1.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5957    1.0451    1.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8339   -1.2120    0.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0985   -2.3061   -0.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3094    1.7611   -1.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4044    0.1270   -2.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5463    2.2778    0.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4591    1.7283    2.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5088   -0.4701    1.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961   -2.1197    0.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7416   -1.5761   -1.1593 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