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
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
-2.5348 -0.4907 0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1386 0.0122 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 1.2271 -0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6493 1.3365 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3222 2.3434 -0.6858 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1853 0.0834 -0.0349 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0793 -0.7736 0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1185 -1.9887 0.5768 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5597 -0.3623 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4891 -1.3332 0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1869 0.3289 0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9641 -0.7971 -0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4858 2.0353 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2934 0.4021 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7175 -0.8369 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6752 -1.1865 -0.6866 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