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
    1.4085    2.6122   -0.1018 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6079    1.3635    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6983    0.6178   -0.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591   -0.5068    0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0864   -1.1562    0.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6854   -0.7637    0.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3696   -1.8350    1.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.3993    0.7519 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403    0.5605    1.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954    0.1124    0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2638   -0.4167   -0.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3134   -0.8102   -1.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6193   -0.6871   -1.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8675   -0.1547   -0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053    0.2347    0.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6092    1.2488   -0.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3614    0.2417   -1.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9950   -0.9190   -0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -1.9504    1.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5874    0.0069    2.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5802    1.6502    1.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2575   -0.5133   -1.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1160   -1.2222   -2.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4505   -0.9945   -1.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9005   -0.0666    0.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0676    0.6446    1.7135 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