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
    0.6439   -0.3640   -2.7741 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2336   -0.3329   -1.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5617    0.2497   -1.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8898    0.1220   -0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7914   -0.5573    0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8225   -0.8178    1.7675 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7662   -0.8345   -0.4102 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4834   -1.4843   -0.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5684   -0.5529    0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8177   -1.0309    0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8916   -0.2354    0.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6591    1.1261    0.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4180    1.6593    0.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3806    0.8251    0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1741    0.6054    0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1471    0.7075   -2.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3856   -2.2629    0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8385   -2.0366   -1.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0057   -2.1113    0.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8794   -0.6286    1.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5009    1.7722    1.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2622    2.7195    0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4099    1.2405    0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3021    0.2678    1.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9842    0.2403   -0.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    1.7139    0.4466 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