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
    1.0732   -1.6881    2.1261 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4900   -1.0092    1.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7031   -0.2152    1.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8305    0.3712   -0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6860   -0.0244   -0.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5079    0.3573   -2.0396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8403   -0.8936   -0.1053 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968   -1.5023   -0.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.6223   -0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3706    0.5899    0.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4744    1.3895    0.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7431    0.9777    0.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8932   -0.2422   -0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8131   -1.0607   -0.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9691    1.2523   -0.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3975   -0.1195    1.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3737   -1.7372   -1.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5484   -2.4437    0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3816    0.9343    0.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3561    2.3459    1.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6207    1.5941    0.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8885   -0.6012   -0.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9452   -2.0251   -1.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7502    1.9688   -1.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8237    0.5846   -0.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2922    1.8191    0.5007 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