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
    4.0815   -0.2942   -0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5868   -0.2777   -0.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8202   -0.9608   -1.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4426   -0.9477   -1.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2398   -0.2408   -0.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5217    0.4408    0.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    0.4291    0.6519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1144    1.2278    1.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6667   -0.2066   -0.1902 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5781   -0.8898    0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2603   -1.6940    1.5611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9396   -0.4805    0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8804    0.3731   -0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4811    0.5973   -1.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0213    1.3460   -1.9660 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4471    0.2926    0.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5047   -1.3019   -0.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4221    0.2608   -1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3858   -1.5163   -1.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1319   -1.4966   -1.9409 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    0.9706    1.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1846    1.0834    1.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0443    2.3353    1.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3683    0.9085    2.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8401   -0.8412    0.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6896    0.8828   -1.2919 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