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
    2.5628   -0.6147   -0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683   -0.0719    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8056    1.1554    0.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6265    1.3210    0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3504    2.3238    0.5865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1791    0.0661   -0.0519 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0644   -0.7926   -0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1515   -1.9933   -0.5869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5942   -0.2440   -0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0497   -0.3282   -0.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1647   -0.2052    0.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5823   -1.7007    0.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4926    1.9601    0.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7484   -1.0141   -0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0050   -0.5700    0.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1065    0.7084   -0.4568 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