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
-2.5968 -0.3080 -0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1492 0.0983 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6703 1.3033 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7788 1.3107 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5430 2.2891 0.4603 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1882 -0.0246 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0005 -0.7974 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0655 -2.0305 -0.3616 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5255 -0.5833 -0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6501 -1.3825 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9775 -0.1128 -1.1221 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2299 0.3044 0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2832 2.1829 0.3851 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7015 -0.7965 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2843 0.1219 0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6008 -1.5750 0.4482 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