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
    2.6012   -0.3702    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1578    0.0561    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7154    1.2984    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7352    1.3410   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5025    2.3400   -0.0355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1882    0.0095   -0.0119 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0199   -0.8038    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0529   -2.0639    0.0219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5470   -0.5139   -0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9477   -0.6674   -0.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6789   -1.2679    0.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    0.4338    0.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3317    2.1758    0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2148    0.0807   -0.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5309   -1.5453   -0.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9623   -0.5027    0.9901 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