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
    2.5841    0.4695   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1686   -0.0288   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615   -1.2692    0.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928   -1.3406    0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3946   -2.3891    0.3551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2006   -0.0203    0.0182 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0355    0.7849   -0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0072    2.0386   -0.3054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5985    0.4068    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7191    1.1685    0.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7279    1.0446   -1.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2738   -0.3635   -0.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4319   -2.1175    0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6116    1.4134    0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9344    0.5081   -1.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1916   -0.3053    0.5868 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