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
    1.0451    0.0499   -2.4941 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6085   -0.0669   -1.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9810    0.4055   -1.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8719    0.6719    0.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5907    1.5275    1.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8146   -0.2018    0.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5936   -0.5265    2.0961 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0240   -0.6649   -0.2038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1098   -1.5344   -0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3942   -0.8081   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6058   -1.4646   -0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8074   -0.7867    0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8324    0.5877    0.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6253    1.2486    0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4383    0.5641    0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6752   -0.4271   -1.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2480    1.3221   -1.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3584    2.1340    0.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4377    1.6500    2.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0963   -2.1513   -1.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704   -2.2886    0.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5889   -2.5360   -0.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7637   -1.2917    0.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7791    1.1323    0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6457    2.3311    0.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4915    1.1240    0.0373 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