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
    2.5686   -0.4568    0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    0.0564   -0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7610    1.2321   -0.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6857    1.2913   -0.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4218    2.2519   -0.7965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1703    0.0488    0.0107 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023   -0.7319    0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0457   -1.9267    0.7192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5441   -0.3770    0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -1.4412   -0.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3365    0.1900   -0.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7679   -0.7121    1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437    2.0264   -0.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6041   -1.4626    0.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0429    0.1641    1.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1605   -0.1527   -0.7110 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