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
   -0.9591   -1.8333    2.0861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4430   -1.0708    1.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6182   -0.2126    1.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8172    0.4398    0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7544    0.0415   -0.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6185    0.4717   -1.9477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9085   -0.8904   -0.1054 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2863   -1.5438   -0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4864   -0.6893   -0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7257   -1.1085   -0.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8574   -0.3287   -0.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7405    0.8552    0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4998    1.2870    0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096    0.4937    0.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9322    1.4167   -0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2696   -0.1147    2.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4437   -2.4910   -0.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1752   -1.6067   -1.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8953   -2.0255   -1.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458   -0.6225   -0.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    1.4732    0.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427    2.2220    1.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4435    0.8391    0.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9436    2.1537    0.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9012    0.8973   -0.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    1.9469   -1.0717 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