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
   -4.0046    0.8925   -0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5468    0.6183   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7035    1.6754   -0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3418    1.5013   -0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2589    0.2469   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6074   -0.7984    0.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966   -0.6240    0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0923   -2.1694    0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6715    0.1120   -0.0325 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5273    0.3606   -1.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1945    0.7322   -2.3002 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9172    0.1110   -0.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9102   -0.2626    0.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324   -0.2810    1.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2221   -0.5986    2.1962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6043    0.0227    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2710    1.2846   -1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2435    1.7089    0.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0795    2.6702   -0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3519    2.3253   -0.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6671   -1.4781    0.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9202   -2.9337    0.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2785   -2.3420    1.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6566   -2.4732   -0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7873    0.2147   -1.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7698   -0.5158    1.0954 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