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
2.5543 -0.5111 0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1742 0.0244 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7821 1.2908 -0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6809 1.3504 -0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4080 2.3771 -0.3443 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1910 0.0374 0.0116 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0277 -0.8014 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0799 -2.0449 0.3206 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5658 -0.4165 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6789 -1.4611 -0.4977 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9088 -0.6610 1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2263 0.2295 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4621 2.1210 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6568 -1.3911 -0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2323 0.3032 -0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9444 -0.4468 1.1336 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