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
    1.2034   -0.0975    2.5917 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5683   -0.1379    1.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8132    0.4795    0.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8486    0.2297   -0.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6846   -0.5334   -0.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4648   -0.9080   -2.0316 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8852   -0.7567    0.3098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3676   -1.4764    0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5303   -0.6027    0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4055    0.7525   -0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5403    1.5209   -0.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8054    0.9705   -0.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9212   -0.3859   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7891   -1.1633    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9404    0.6719   -1.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5618    1.0285    1.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3612   -2.2728   -0.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4810   -2.0043    1.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4431    1.2566   -0.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4437    2.5777   -0.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7070    1.5459   -0.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8770   -0.8751   -0.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9562   -2.2207    0.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5013   -0.1778   -1.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4807    1.2797   -2.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6765    1.2992   -0.7930 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