Monomers

1-(3-Methylphenyl)-1h-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(3-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-7H,1H3
InchI Key
PRZFFHNZHXGTRC-UHFFFAOYSA-N
SMILES
Cc1cccc(c1)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=CC=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC(=CC=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
    3.2434    1.2747    0.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884    0.3918    0.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1955   -0.5703    1.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1110   -1.3829    1.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0511   -1.1857    1.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1669   -0.2353    0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9163    0.5769   -0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4076   -0.1135   -0.5479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5326   -0.9703   -0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7057   -2.0032    0.2426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5701   -0.4736   -1.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0852    0.5922   -1.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7429    0.8938   -1.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0144    1.8582   -1.8800 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    2.2297    0.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836    1.5433   -0.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1945    0.7202    0.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1118   -0.7286    2.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1516   -2.1500    2.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8615   -1.8462    1.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8806    1.3315   -0.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5320   -0.9418   -1.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6089    1.1890   -2.7324 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
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 13  8  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  0
  7 21  1  0
 11 22  1  0
 12 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers