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
-2.5341 -0.4686 -0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1462 -0.0021 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7719 1.2584 0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 1.3373 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4218 2.3597 0.2863 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 0.0037 -0.0018 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0347 -0.8714 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0366 -2.1221 -0.2656 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5412 -0.4104 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6903 -1.2978 -0.7959 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1893 0.3596 -0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8637 -0.7598 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4290 2.1074 0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8037 -0.9593 -0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1926 0.4797 0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7637 -1.0143 0.8782 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