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
2.5775 -0.5523 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1884 0.0028 0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7947 1.2463 0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6567 1.3592 0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3924 2.3752 0.5215 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1768 0.0388 0.2105 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0226 -0.7935 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0779 -2.0455 -0.0284 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5785 -0.3228 0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7902 -1.0893 -0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6013 -1.3410 1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3038 0.2442 0.4361 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4795 2.0743 0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1569 0.2015 0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0048 0.0161 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6690 -1.4141 0.1262 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