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
    1.0414   -1.3027   -2.5214 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5038   -0.7429   -1.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6958    0.0834   -1.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8401    0.4757   -0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7569   -0.0588    0.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5746    0.1162    1.9511 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9350   -0.8158   -0.1702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759   -1.5453    0.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4798   -0.7130    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4370    0.5940   -0.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5944    1.3536   -0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8163    0.7958   -0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690   -0.5189    0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7100   -1.2580    0.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9232    1.3397    0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3624    0.3357   -2.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3528   -2.5082   -0.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1790   -1.8238    1.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5086    1.0717   -0.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5551    2.3810   -0.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7245    1.4046   -0.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8532   -0.9283    0.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7930   -2.3052    0.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5131    1.9685    1.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6689    0.6313    0.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3332    1.9694   -0.3098 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