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
    1.9309    2.4457   -0.5320 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4394    1.2931   -0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8507    0.9423   -0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9293   -0.3488   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6300   -0.9422    0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3293   -2.1529    0.3335 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6691    0.1122   -0.0747 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625    0.0072    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4872   -0.2557   -1.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8841   -0.3552   -1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5014   -0.1885    0.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7468    0.0728    1.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3710    0.1693    1.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9881   -0.2927    0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6633    1.6591   -0.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8826   -0.8879   -0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0387   -0.3919   -2.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5031   -0.5612   -1.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2221    0.2028    2.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1956    0.3788    2.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3935   -0.0074   -0.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2780   -1.3076    0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3687    0.4086    1.0942 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