Monomers

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

Identifiers

IUPAC name
1-(4-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
KCFXNGDHQPMIAQ-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.4244
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

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.2264   -2.3515   -0.2929 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182   -1.1245   -0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9095   -0.6702   -0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207    0.6318    0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5477    1.1330    0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2752    2.3463    0.4791 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7090   -0.0008    0.1039 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2889    0.0109    0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4373   -1.1601    0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8306   -1.1816    0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5336   -0.0087    0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8410    1.1908    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4484    1.1733    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0170    0.0115    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7858   -1.2848   -0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8298    1.2212    0.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242   -2.1289    0.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3901   -2.1044    0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3767    2.1110    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0261    2.1198    0.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3268   -0.3143   -1.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4761   -0.6549    0.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3839    1.0353    0.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 12 19  1  0
 13 20  1  0
 14 21  1  0
 14 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers