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
   -4.0738   -0.4199    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912   -0.3443    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8606   -1.4835    0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5013   -1.4569    0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2182   -0.3049    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4942    0.8085   -0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8806    0.7912   -0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2317    2.0635   -0.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6318   -0.2861    0.1443 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    0.0245    1.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0879    0.3405    2.4291 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8371   -0.0961    0.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8576   -0.4478   -0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -0.5839   -0.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1883   -0.9084   -2.1469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4780    0.3561   -0.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5063   -0.2451    1.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3674   -1.4462   -0.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4031   -2.3824    0.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0765   -2.3362    0.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4459    1.6697   -0.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4439    2.9166   -0.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3593    2.1514   -1.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1962    2.1514   -0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7089    0.0782    1.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7447   -0.6098   -1.1088 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