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
    0.9061   -2.2675    1.7286 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3977   -1.3640    0.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6326   -0.6482    1.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.2276    0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7749    0.1301   -0.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6564    0.8046   -1.7184 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8691   -0.8626   -0.2352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3455   -1.2783   -0.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5057   -0.4697   -0.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4069    0.5371    0.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5237    1.2634    0.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7679    1.0047    0.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8688   -0.0027   -0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7455   -0.7374   -0.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0079    1.1740    0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966   -0.7773    2.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2848   -1.1844   -2.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -2.3341   -0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4339    0.7530    0.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3982    2.0428    1.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6481    1.5734    0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8380   -0.2398   -1.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8334   -1.5183   -1.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5853    2.1983    0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7300    0.9248    0.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4608    1.0506   -0.8443 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