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
    1.1344   -2.7314   -0.1282 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5316   -1.5530    0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7863   -0.9997   -0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8532    0.2470   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6683    0.5967    0.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3701    1.6782    1.3298 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8281   -0.5655    0.8207 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4611   -0.6809    1.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5758   -0.3032    0.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0084    1.0095    0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0350    1.4011   -0.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6724    0.4838   -1.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2391   -0.8247   -1.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2116   -1.2224   -0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9534    1.2254   -0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5596   -1.4912   -1.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6280   -1.7258    1.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4496   -0.0417    2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4840    1.7211    1.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3433    2.4451   -0.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4800    0.7708   -1.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7400   -1.5584   -1.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8906   -2.2577   -0.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8423    0.6645   -0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.9014   -1.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1094    1.8111    0.6541 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