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
    0.9704   -2.8368   -0.2848 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392   -1.6967   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7528   -1.1670   -0.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    0.0706    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879    0.4487    0.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862    1.5678    1.3191 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7975   -0.6606    0.7092 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4984   -0.6602    1.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5671   -0.1829    0.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3677    0.2307   -0.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3948    0.6739   -1.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6701    0.7006   -1.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9184    0.2928    0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8592   -0.1378    0.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0593    0.9752   -0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4728   -1.7099   -0.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4905    0.0115    2.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7178   -1.6859    1.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3444    0.1980   -1.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2472    0.9998   -2.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4850    1.0542   -1.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9414    0.3390    0.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1028   -0.4506    1.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502    0.4422   -0.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3280    1.4881    0.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7665    1.7100   -0.9456 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