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
   -0.8155   -2.7075    0.8802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3566   -1.6119    0.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6173   -1.0582    1.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8787    0.1094    0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7816    0.3817   -0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7035    1.3947   -1.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8580   -0.6840   -0.3923 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3442   -0.8070   -1.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5290   -0.2314   -0.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8901    1.0858   -0.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0035    1.6133   -0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7686    0.8130    0.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4384   -0.5075    0.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3191   -1.0017    0.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0594    0.9700    0.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2080   -1.5694    1.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2671   -0.3447   -2.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5035   -1.9014   -1.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2989    1.7552   -1.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2620    2.6608   -0.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6589    1.2314    1.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0600   -1.1146    1.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0940   -2.0570    0.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2936    0.9762    1.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8957    2.0094    0.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9696    0.5956    0.2803 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