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
   -1.2271   -0.5592   -2.5091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6020   -0.4011   -1.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8063    0.2687   -0.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8046    0.2041    0.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6134   -0.5042    0.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3271   -0.7263    2.1305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8495   -0.8887   -0.1914 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135   -1.6127   -0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5486   -0.6550   -0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698   -0.1374   -1.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1219    0.7542   -1.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6781    1.1456   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777    0.6443    1.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1192   -0.2510    1.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8646    0.7726    1.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5503    0.7290   -1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4771   -2.3815    0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4582   -2.1355   -1.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6263   -0.4514   -2.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4890    1.1269   -2.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5157    1.8534   -0.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    0.9686    1.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7423   -0.6312    1.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9409    1.8567    1.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6215    0.7164    2.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8634    0.2945    1.1005 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