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
    1.9588    2.5204    0.2735 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    1.3599    0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8502    1.0467    0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9657   -0.2475   -0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6565   -0.8842   -0.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083   -2.0969   -0.2538 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6694    0.1627   -0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2446    0.0155   -0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3550   -1.1864    0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7332   -1.3184    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5264   -0.2619   -0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9130    0.9515   -0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5384    1.0909   -0.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9826   -0.3762   -0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6769    1.7320    0.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8841   -0.8140   -0.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2068   -2.0647    0.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2213   -2.2878    0.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4803    1.8457   -0.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0762    2.0420   -0.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2705   -0.6508   -1.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3763   -1.1780    0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4734    0.5994   -0.1276 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