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
    2.5621   -0.3035    0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1624    0.1567   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6934    1.3280   -0.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7615    1.2634   -0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5550    2.1879   -0.7105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1676   -0.0302   -0.0206 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0304   -0.7506    0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0718   -1.9494    0.6004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4914   -0.5583    0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217   -1.1446   -0.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6876   -0.7879    1.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3038    0.4732   -0.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3266    2.1710   -0.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4968   -1.6406    0.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1045   -0.3261   -0.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9830   -0.0890    1.0036 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