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
    2.5644   -0.2111    0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1174    0.1397    0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6283    1.3685    0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8223    1.2878    0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6153    2.2875    0.0177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1733   -0.0857   -0.0845 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0290   -0.8366   -0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1612   -2.0950   -0.1053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4852   -0.6807   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0914    0.2100   -0.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0335    0.2308    1.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6936   -1.3038    0.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879    2.2898    0.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2329    0.0270   -0.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7882   -1.0612    0.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3895   -1.5671   -0.8716 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