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
    2.5543   -0.5111    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1742    0.0244   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7821    1.2908   -0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6809    1.3504   -0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4080    2.3771   -0.3443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1910    0.0374    0.0116 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0277   -0.8014    0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0799   -2.0449    0.3206 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5658   -0.4165    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6789   -1.4611   -0.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9088   -0.6610    1.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2263    0.2295   -0.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621    2.1210   -0.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6568   -1.3911   -0.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2323    0.3032   -0.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9444   -0.4468    1.1336 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