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
   -2.5968   -0.3080   -0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1492    0.0983    0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6703    1.3033    0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    1.3107    0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5430    2.2891    0.4603 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1882   -0.0246    0.0300 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005   -0.7974   -0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655   -2.0305   -0.3616 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5255   -0.5833   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6501   -1.3825    0.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9775   -0.1128   -1.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2299    0.3044    0.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2832    2.1829    0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7015   -0.7965   -1.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2843    0.1219    0.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -1.5750    0.4482 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