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
   -0.9928    2.7753    0.3334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4118    1.6545   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7226    1.0757    0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8042   -0.1321   -0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5367   -0.4041   -0.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -1.4517   -1.5665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6691    0.7087   -0.7810 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6730    0.7835   -1.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6390    0.2475   -0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9478   -1.0989   -0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8365   -1.5658    0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4103   -0.7489    1.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0987    0.6065    1.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    1.0916    0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9460   -1.0591   -0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5528    1.5082    0.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7086    0.1674   -2.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9507    1.8231   -1.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4809   -1.7514   -1.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0734   -2.6228    0.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1137   -1.1510    2.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5349    1.2880    2.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    2.1529    0.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8874   -0.5098    0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7671   -1.8051    0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1124   -1.5822   -1.2147 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