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
    1.0888   -2.6019   -0.5403 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5262   -1.4501   -0.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6871   -0.7842   -0.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7964    0.4214   -0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7056    0.6047    0.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5052    1.6388    1.3459 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060   -0.5742    0.6675 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2707   -0.8508    1.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954   -0.4255    0.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7332   -0.5918    1.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8572   -0.1783    0.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7504    0.3904   -0.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5104    0.5571   -1.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3782    0.1412   -0.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8385    1.4429   -0.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3550   -1.2061   -1.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2142   -0.3367    2.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3438   -1.9412    1.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8055   -1.0426    2.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8395   -0.3123    1.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6244    0.7139   -1.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4380    1.0027   -2.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3880    0.2562   -0.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9247    2.1675    0.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8160    0.9890   -0.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4994    1.9697   -1.5590 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