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
   -2.5834   -0.5017   -0.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1672   -0.0061   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7842    1.2505    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6632    1.3497    0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3815    2.3787    0.1947 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1801    0.0278    0.0510 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0399   -0.8114   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0790   -2.0640   -0.1241 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5906   -0.3864    0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1320    0.0179   -0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5538   -1.6013   -0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1031   -0.3510    0.8148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4425    2.1112    0.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7783   -1.0372    0.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8693   -0.9115   -0.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843    0.5349    0.2642 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