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
    2.6038   -0.3644   -0.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760    0.0806   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7264    1.2975    0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7372    1.3028    0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4592    2.3123    0.4851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1903   -0.0308    0.0316 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0061   -0.7818   -0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0179   -2.0223   -0.3964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5680   -0.5059    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8759   -1.0012    0.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730    0.4962   -0.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812   -1.0200   -1.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763    2.1730    0.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1439    0.1006    0.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0118   -0.4583   -1.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6260   -1.5784    0.3295 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