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
   -2.5790    0.3972   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1247    0.0198   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7474   -1.2541    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6986   -1.3206    0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966   -2.3650    0.1205 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1711    0.0192   -0.0036 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0385    0.8845   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0285    2.1237   -0.1142 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443    0.4865   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0425   -0.2275   -0.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7287    1.4601   -0.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9631    0.0845    0.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3890   -2.1246    0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6234    1.5114    0.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1627   -0.1911    0.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9108    0.4961   -1.0725 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