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
    0.9226    2.8164   -0.4955 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096    1.6760   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6421    1.1790   -0.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8719   -0.0558   -0.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8093   -0.4314    0.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010   -1.5500    1.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9012    0.6530    0.5493 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2683    0.6611    1.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4769    0.1721    0.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5119   -0.2523   -0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6698   -0.7041   -1.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8244   -0.7140   -0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8449   -0.2964    0.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6563    0.1453    1.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9940   -0.9638   -0.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2592    1.7438   -1.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5039    1.7022    1.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0775   -0.0119    2.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6115   -0.2376   -1.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6662   -1.0334   -2.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7629   -1.0548   -0.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7347   -0.2937    1.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6881    0.4749    2.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5085   -0.6462   -1.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5697   -1.9853   -0.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7082   -0.9933    0.0203 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