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
    1.2789   -2.4503   -0.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6640   -1.2341   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9439   -0.8167    0.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8847    0.6611    0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7795    1.4280    1.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6763    1.0427   -0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3187    2.2182   -0.4753 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9359   -0.1092   -0.6111 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3281   -0.1621   -1.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4922   -0.1406   -0.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0392   -1.3063    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1352   -1.2977    0.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7207   -0.1129    1.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1843    1.0595    0.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910    1.0357   -0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7821   -1.0668   -0.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1503   -1.2663    1.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6452    1.0345    1.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    2.5187    1.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3291    0.6863   -2.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3511   -1.0871   -1.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6100   -2.2709   -0.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5232   -2.2380    1.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5828   -0.0837    1.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6533    1.9813    1.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7024    1.9766   -0.3839 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