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
2.5805 0.5493 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3331 0.1508 0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8337 -1.1283 0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 -1.2108 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2748 -2.2599 0.0721 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0197 0.0941 -0.1688 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1385 0.9159 -0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0841 2.1612 -0.4841 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3954 0.5170 -0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4225 -0.0563 0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7692 1.5169 -0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8763 -1.1217 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4675 -1.9305 0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9922 -0.3817 -0.7092 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3716 1.2387 -1.2901 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.9452 0.4627 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