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
2.6224 -0.2845 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1664 0.0708 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6863 1.2084 0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7687 1.1976 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5789 2.0874 0.8696 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1838 -0.0553 -0.0214 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0146 -0.7592 -0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0764 -1.9233 -0.8088 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5646 -0.5146 -0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7125 -1.3815 -0.3022 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1045 0.3105 -0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1668 -0.0259 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2857 2.0545 0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0080 -0.7482 0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1773 0.2303 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5543 -1.4669 -0.7689 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