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
   -2.5356   -0.5336    0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1439    0.0363    0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7711    1.2933    0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777    1.3926   -0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3785    2.4624   -0.0536 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520    0.0605   -0.0761 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0351   -0.8071   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0599   -2.0924   -0.0403 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5422   -0.3709   -0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2736    0.1379   -0.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8071   -0.7160    1.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5755   -1.5179   -0.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4459    2.1512    0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796   -0.3598   -1.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392   -1.4338    0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1885    0.2972    0.4453 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