Monomers

1-(2,4-dimethylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2,4-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12(13)15/h3-7H,1-2H3
InchI Key
LWFUFCYGHRBLDH-UHFFFAOYSA-N
SMILES
Cc1ccc(c(c1)C)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=C(C=C1)N2C(=O)C=CC2=O)C
Isomeric SMILES
CC1=CC(=C(C=C1)N2C(=O)C=CC2=O)C
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
1.7328
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
    4.0522    0.0460    0.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5547    0.0395    0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    0.2886    1.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.2793    1.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2425    0.0185    0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6032   -0.2262   -0.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9873   -0.2203   -0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0429   -0.5044   -2.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6636    0.0217    0.1570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417    1.1892    0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9870    2.3122    0.7580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8436    0.8525    0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9124   -0.4257   -0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5672   -1.0080   -0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2545   -2.1721   -0.4718 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2755   -0.3683    1.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127    1.1118    0.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5236   -0.4960   -0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322    0.4933    2.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2913    0.4793    2.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5768   -0.4222   -1.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1776   -1.6168   -2.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9823    0.0249   -2.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100   -0.2714   -2.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6904    1.5327    0.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8261   -0.9581   -0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  7  2  1  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  8 24  1  0
 12 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers