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
-2.3963 -0.1634 -1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0339 0.0941 -0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4103 1.2542 -0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9078 1.1844 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 2.1027 0.0736 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0658 -0.1342 0.5370 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1500 -0.8008 0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4297 -1.9865 0.4931 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2183 -0.6542 1.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6633 -1.2414 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1826 0.3701 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4711 0.1140 -2.1447 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7913 2.1451 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9231 -1.4062 2.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9714 -1.0706 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6695 0.1926 1.8564 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