Monomers

1-benzyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-benzyl-3-methylpyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InchI Key
KOQFJKQRPZRORH-UHFFFAOYSA-N
SMILES
O=C1C=C(C(=O)N1Cc1ccccc1)C
Canonical SMILES
CC1=CC(=O)N(C1=O)CC2=CC=CC=C2
Isomeric SMILES
CC1=CC(=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
    1.0025   -2.0745    1.6657 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4377   -1.3070    0.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7491   -0.7168    0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8486    0.0077   -0.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6263   -0.0560   -1.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3989    0.5314   -2.2556 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7367   -0.8998   -0.4254 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5946   -1.2873   -0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6115   -0.3535   -0.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9455   -0.6361   -0.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    0.1827   -0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6011    1.2840    0.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2696    1.5642    0.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2642    0.7535    0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0720    0.7937   -0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5153   -0.8492    1.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8206   -2.2932   -0.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6829   -1.3772   -1.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2420   -1.5010   -1.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9932   -0.0368   -0.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3907    1.9377    1.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0027    2.4367    1.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2174    0.9249    0.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9571    1.8652   -0.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9412    0.4268   -0.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3067    0.6801   -1.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  4 15  1  0
  7  2  1  0
 14  9  1  0
  3 16  1  0
  8 17  1  0
  8 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
 13 22  1  0
 14 23  1  0
 15 24  1  0
 15 25  1  0
 15 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers