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
   -1.0110   -0.6100    2.4850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4878   -0.4484    1.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7887    0.1622    1.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9236    0.1468   -0.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7355   -0.4661   -0.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5248   -0.6439   -2.1282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8332   -0.8398    0.1481 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4391   -1.4686   -0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5584   -0.5104   -0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4216    0.8585   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340    1.6752   -0.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7868    1.1328   -0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9404   -0.2455   -0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8180   -1.0305   -0.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0781    0.6589   -1.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5314    0.5648    1.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7157   -2.1467    0.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4534   -2.1239   -0.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4529    1.2704   -0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4674    2.7574   -0.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.7559   -0.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9156   -0.7027   -0.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482   -2.0954   -0.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0444    0.3992   -0.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1461    0.1761   -2.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0130    1.7738   -1.2437 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