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
    0.9561   -1.9573    2.0456 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4584   -1.1577    1.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7054   -0.3855    1.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.3448    0.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7859    0.0831   -0.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6661    0.6171   -1.7792 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860   -0.8528   -0.0605 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3466   -1.3928   -0.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5184   -0.5629   -0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7560   -0.9656   -0.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9110   -0.2470   -0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8427    0.9025    0.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6026    1.3022    0.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4576    0.5801    0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0571    1.2527    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3248   -0.4415    2.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5315   -2.4283   -0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3111   -1.4036   -1.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8541   -1.8618   -1.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8837   -0.5547   -0.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7421    1.4793    0.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5415    2.2044    1.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4876    0.8890    0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2844    1.8609    0.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8067    1.9839   -0.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9554    0.7114   -0.3265 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