Monomers
1-Methyl-3-methylidenepyrrolidine-2,5-dione
Identifiers
IUPAC name
1-methyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C6H7NO2/c1-4-3-5(8)7(2)6(4)9/h1,3H2,2H3
InchI Key
QSWFISOPXPJUCT-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)C
Canonical SMILES
CN1C(=O)CC(=C)C1=O
Isomeric SMILES
CN1C(=O)CC(=C)C1=O
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
2.5060 -0.7976 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3154 -0.2494 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0010 1.1336 0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4704 1.2287 0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1454 2.3039 0.3731 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0260 -0.0359 -0.1083 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0477 -0.9598 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0664 -2.1933 -0.5275 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4402 -0.3219 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6410 -1.8263 -0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3714 -0.2040 0.1693 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2346 1.2652 1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5528 1.8875 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0709 0.2830 0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7881 -0.1283 -1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6628 -1.3854 -0.0579 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 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
3 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