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
   -0.8894    2.2094    1.6559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    1.3058    0.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5690    0.5468    1.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7327   -0.2882    0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6452   -0.1316   -0.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5340   -0.8066   -1.9113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7959    0.8682   -0.3381 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    1.3654   -0.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    0.5339   -0.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1648    0.9430    0.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2157    0.1557    1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5764   -0.9765    0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9316   -1.3635   -0.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8915   -0.5996   -1.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8613   -1.2465   -0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2589    0.6338    1.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5720    2.4248   -0.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550    1.2531   -2.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8566    1.8411    1.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7238    0.4724    2.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3872   -1.5722    0.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1924   -2.2536   -1.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3510   -0.8765   -2.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6620   -2.2218    0.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0882   -1.3727   -1.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7778   -0.8440    0.4738 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