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
    1.0023    0.8746   -2.6766 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4758    0.4782   -1.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7055    0.9150   -0.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8619    0.2613    0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7230   -0.6416    0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5235   -1.4291    1.3464 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8627   -0.5075   -0.7475 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3548   -1.2513   -0.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5215   -0.5658   -0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170    0.6444    0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5300    1.2709    0.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7769    0.6929    0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8940   -0.5199    0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7723   -1.1314   -0.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9689    0.3886    1.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4110    1.6563   -1.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5347   -1.4915   -2.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2049   -2.2675   -0.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4289    1.1182    0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4493    2.2318    1.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6546    1.2039    1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8745   -0.9771    0.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8803   -2.0834   -0.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    0.0996    2.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7387   -0.3820    0.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4099    1.4124    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