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
    2.5597   -0.3497    0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1364    0.0432    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7367    1.2606   -0.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7203    1.2367   -0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4478    2.2490   -0.5395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1683   -0.0978   -0.0443 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032   -0.8544    0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.0891    0.4334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5525   -0.4855   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6505   -1.3875   -0.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8969   -0.3334    1.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2364    0.2791   -0.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491    2.1614   -0.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1235    0.3347    0.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9135   -0.5080   -1.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6722   -1.4595    0.4589 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