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
    2.5775   -0.5523    0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1884    0.0028    0.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7947    1.2463    0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6567    1.3592    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3924    2.3752    0.5215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1768    0.0388    0.2105 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0226   -0.7935    0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0779   -2.0455   -0.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5785   -0.3228    0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7902   -1.0893   -0.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6013   -1.3410    1.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3038    0.2442    0.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4795    2.0743    0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1569    0.2015    0.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0048    0.0161   -0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6690   -1.4141    0.1262 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