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
   -2.5713   -0.5139   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -0.0303   -0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7775    1.2274   -0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828    1.3093   -0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3848    2.3585   -0.1397 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1566   -0.0260   -0.0028 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0301   -0.8598    0.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0814   -2.1123    0.1108 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5738   -0.3641    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6804   -1.4886    0.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1635    0.2191    0.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9653   -0.5911   -1.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    2.1292   -0.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -1.4381   -0.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9973   -0.1218    1.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0729    0.3024   -0.6938 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