Monomers

1,3-dimethyl-2,5-dihydro-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1,3-dimethylpyrrole-2,5-dione
InchI
InChI=1S/C6H7NO2/c1-4-3-5(8)7(2)6(4)9/h3H,1-2H3
InchI Key
HZSAZNPWHKCGKO-UHFFFAOYSA-N
SMILES
CC1=CC(=O)N(C1=O)C
Canonical SMILES
CC1=CC(=O)N(C1=O)C
Isomeric SMILES
CC1=CC(=O)N(C1=O)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7NO2
Heavy Atom Count
9
Molecular Weight
125.127
Exact Molecular Weight
125.0477
Valence Electrons
48
Radical Electrons
0
tPSA
37.38
MolLogP
-0.0687
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.5622   -0.4402   -0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1460    0.0413   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7512    1.2942   -0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100    1.3490   -0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4639    2.3555   -0.2786 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1866    0.0257    0.0178 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0429   -0.7956    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0347   -2.0434    0.2608 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5529   -0.4629    0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0999   -0.0511    0.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5702   -1.5494   -0.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1419   -0.0857   -0.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3742    2.1825   -0.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604   -1.3215   -0.5617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2899    0.3481   -0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7045   -0.8465    1.1463 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
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  7  2  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers