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
   -1.4119   -2.1363   -1.2453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -1.1305   -0.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8371   -0.2628   -0.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7935    0.6788    0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6206    0.5102    1.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2446    1.2043    2.0572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9272   -0.6306    0.5952 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2830   -1.2403    1.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4894   -0.6800    0.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4156    0.3142   -0.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    0.8081   -1.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7786    0.3112   -0.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8901   -0.6821    0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7348   -1.1609    0.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8207    1.7536    0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6001   -0.3899   -1.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4019   -0.9892    2.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2863   -2.3475    0.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4317    0.7213   -0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4674    1.5905   -1.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6965    0.6859   -1.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8812   -1.0546    0.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8694   -1.9442    1.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7824    1.2772    0.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9271    2.3152   -0.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5428    2.4786    1.1533 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