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
    0.8901   -2.2921   -1.8866 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3733   -1.3245   -1.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5622   -1.3568   -0.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7884   -0.1747    0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7346    0.7225   -0.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6068    1.9531    0.0059 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8618   -0.0040   -1.1618 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3119    0.5147   -1.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5107    0.3351   -0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7569    0.7388   -1.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8618    0.5698   -0.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7291   -0.0194    0.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4561   -0.4187    1.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590   -0.2567    0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9083    0.2011    1.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2036   -2.2323   -0.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1653    1.6129   -1.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4251    0.0141   -2.7967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8720    1.2032   -2.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8611    0.8828   -0.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5399   -0.1831    1.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3119   -0.8900    2.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3661   -0.5838    0.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5002   -0.6715    1.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5698    0.8940    0.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5279    0.7655    1.9563 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