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
   -3.3317    1.1856    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2243    0.1614    0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5274   -1.1852    0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4902   -2.0959    0.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1752   -1.6635    0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1468   -0.3246    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9021    0.5671    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5169    0.0540   -0.0354 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6489   -0.3824    0.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6039   -1.2421    1.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8466    0.3063    0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4886    1.1358   -0.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0562    1.0268   -0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3725    1.6550   -1.7903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9134    2.2069    0.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0348    0.9328    0.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7920    1.0714   -0.9651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5721   -1.4476    0.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7493   -3.1308    0.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6228   -2.3986    0.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6372    1.6140   -0.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639    0.1797    0.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1826    1.7739   -1.2417 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