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
    3.9896   -0.8607   -0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5132   -0.7185   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6829   -1.8285   -0.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3206   -1.6185   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2327   -0.3540   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6090    0.7347    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9841    0.5470    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0072    2.0817    0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6344   -0.1277   -0.0276 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1207    1.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8873    0.1691    2.3515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7768    0.3078    0.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9275    0.1878   -0.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6109   -0.0837   -1.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3872   -0.2507   -2.2738 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3788   -0.2904    0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4512   -0.3978   -1.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3129   -1.9216   -0.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1118   -2.8348   -0.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3464   -2.4833   -0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6076    1.4231    0.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2224    2.3132    1.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920    2.8297   -0.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8672    2.2601   -0.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6262    0.5133    1.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8721    0.2819   -1.0179 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