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
    2.5654   -0.4940   -0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1616   -0.0107    0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7756    1.1905    0.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6946    1.2865    0.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    2.2944    0.7084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1957    0.0421   -0.0709 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0403   -0.7649   -0.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0703   -1.9411   -0.7010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5832   -0.3503   -0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6332   -1.5978    0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0848   -0.1409   -0.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1663   -0.1257    0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4668    1.9645    0.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8395   -0.4516   -1.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2261    0.4121    0.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8142   -1.3130    0.2269 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