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
    0.6836   -1.1126   -2.6047 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2680   -0.7068   -1.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5063    0.0458   -1.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8073    0.2914   -0.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7631   -0.2973    0.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7092   -0.2657    1.9046 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8120   -0.9143   -0.2186 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966   -1.6251    0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5602   -0.6779    0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3314    0.6545   -0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3641    1.5412   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6246    1.1293    0.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8545   -0.2181    0.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8182   -1.1283    0.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0103    1.0427    0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284    0.3791   -2.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2895   -2.0347    1.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6006   -2.4572   -0.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3246    1.0101   -0.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1692    2.5822   -0.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4808    1.7872    0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8339   -0.6017    0.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9874   -2.1769    0.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4921    0.5028    1.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    2.0803    0.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7450    1.1699   -0.4866 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