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
-2.6091 -0.4777 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1895 0.0104 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7751 1.2449 0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6794 1.3263 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3843 2.3659 0.4358 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1896 0.0135 0.0356 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0255 -0.7884 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -2.0343 -0.3401 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5905 -0.3832 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2181 0.2688 -0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9750 -0.7389 0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5471 -1.4215 -0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4264 2.0943 0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6753 -1.4674 -0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0766 0.1929 -0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0354 -0.2056 1.0131 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