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
    0.9425   -2.7022    0.7232 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3989   -1.5643    0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6209   -1.3622   -0.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8472   -0.0675   -0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8087    0.6973    0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7255    1.9604    0.2863 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9306   -0.2743    0.7705 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2596   -0.0183    1.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4705    0.1005    0.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4927   -0.0156   -0.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664    0.1075   -1.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8698    0.3523   -0.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8631    0.4725    0.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6748    0.3449    1.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9893    0.5390   -1.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2582   -2.1428   -0.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966   -0.8184    2.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1139    0.9263    2.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5487   -0.2096   -1.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7050    0.0194   -2.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8077    0.4543   -1.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8018    0.6625    1.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7089    0.4437    2.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2147   -0.0733   -2.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9033    0.5946   -0.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7399    1.5734   -1.5573 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