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
    1.1854   -1.8760    1.9715 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5549   -1.0483    1.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7145   -1.2144    0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8224   -0.1562   -0.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7304    0.7584   -0.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4892    1.8587   -0.8540 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9610    0.1940    0.7430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2115    0.7893    1.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4501    0.3797    0.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4660   -0.4675   -0.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6912   -0.7845   -1.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8787   -0.2701   -0.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8605    0.5747    0.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6466    0.8836    1.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8612    0.0742   -1.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4245   -2.0291    0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1024    1.8948    1.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3231    0.4803    2.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290   -0.8668   -0.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7336   -1.4531   -1.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8255   -0.5312   -0.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8083    0.9573    0.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6698    1.5544    1.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186    0.1215   -2.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5688   -0.7915   -1.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4656    0.9676   -1.4217 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