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
    3.2424    1.2838    0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1925    0.2820   -0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4866   -0.9401   -0.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4976   -1.8811   -0.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1972   -1.5637   -0.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1301   -0.3512   -0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8554    0.5726    0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4857   -0.0252    0.1409 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5530   -0.9294    0.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184   -2.1725    0.6080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7673   -0.1693    0.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5243    1.1090    0.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1018    1.2593    0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5031    2.3381   -0.1276 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9427    2.3052   -0.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1460    1.0377   -0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5364    1.2545    1.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5144   -1.1811   -0.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7569   -2.8390   -1.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5716   -2.2816   -0.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6332    1.5296    0.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7204   -0.5770    0.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2256    1.9393    0.5588 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