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
   -0.8766    2.6572   -1.0730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3948    1.5663   -0.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6520    1.3604    0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8739    0.0784    0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7340   -0.6321   -0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5824   -1.8986   -0.2908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174    0.2864   -0.8996 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4087   -0.1007   -1.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5531   -0.1577   -0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3878    0.1468    0.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5027    0.0766    1.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   -0.2805    1.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9026   -0.5903   -0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7860   -0.5181   -1.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0558   -0.5335    0.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3319    2.1626    0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6778    0.6165   -2.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430   -1.0759   -2.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4497    0.4346    1.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4015    0.3120    2.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5913   -0.3259    1.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665   -0.8740   -0.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9237   -0.7586   -2.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9685   -0.1909    0.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208   -0.1434    1.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0114   -1.6176    0.8517 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