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
-2.5713 -0.5139 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1750 -0.0303 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7775 1.2274 -0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6828 1.3093 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3848 2.3585 -0.1397 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1566 -0.0260 -0.0028 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0301 -0.8598 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0814 -2.1123 0.1108 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5738 -0.3641 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6804 -1.4886 0.5438 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1635 0.2191 0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9653 -0.5911 -1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3897 2.1292 -0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -1.4381 -0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9973 -0.1218 1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0729 0.3024 -0.6938 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