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
    0.9649   -2.3441   -1.4810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4568   -1.4260   -0.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6105   -1.5020    0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7808   -0.3077    0.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7722    0.6110    0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6651    1.8413    0.4865 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9399   -0.1030   -0.7472 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1711    0.4878   -1.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4467    0.3900   -0.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2356   -0.7159   -0.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4441   -0.8134   -0.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375    0.1736    0.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0509    1.2838    0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8589    1.3611    0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8420    0.0925    1.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2232   -2.3879    0.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3021    0.0004   -2.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0900    1.5585   -1.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9666   -1.5192   -1.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0490   -1.6958   -0.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7756    0.0971    1.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3563    2.0745    1.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2193    2.2349    0.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2710   -0.8038    2.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688    0.6451    1.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4286    0.7672    2.4183 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