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
    1.2600   -2.6617    0.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5921   -1.4460    0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7461   -0.9402   -0.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8309    0.3799   -0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7227    0.8139    0.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4659    1.9999    0.7767 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9403   -0.3327    0.8341 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2408   -0.3505    1.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4945   -0.2109    0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0460    1.0228    0.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2025    1.1984   -0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8431    0.0806   -0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3268   -1.1708   -0.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1639   -1.3144    0.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8804    1.2471   -0.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4325   -1.5672   -1.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2560   -1.3531    2.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2377    0.4160    2.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5338    1.9013    0.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6484    2.1575   -0.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7562    0.1408   -1.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8302   -2.0633   -0.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7535   -2.3023    0.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8897    0.8197   -0.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7489    1.2835   -2.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8238    2.2517   -0.5066 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