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
   -2.5911   -0.4106   -0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1771    0.0526   -0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    1.2632    0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    1.3069    0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061    2.3112    0.6162 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    0.0048    0.0485 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0156   -0.7713   -0.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362   -2.0021   -0.4953 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667   -0.4353    0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5527   -1.2804   -0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2533    0.3802   -0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8974   -0.8300    0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4368    2.1159    0.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6202   -1.4011   -0.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2314    0.3315   -0.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9179   -0.6354    1.0594 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