Monomers
1-Buta-1,3-dienylpyrrolidine-2,5-dione
Identifiers
IUPAC name
1-buta-1,3-dienylpyrrolidine-2,5-dione
InchI
InChI=1S/C8H9NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h2-3,6H,1,4-5H2
InchI Key
RWLJMKQXDUTHCU-UHFFFAOYSA-N
SMILES
C=CC=CN1C(=O)CCC1=O
Canonical SMILES
C=CC=CN1C(=O)CCC1=O
Isomeric SMILES
C=CC=CN1C(=O)CCC1=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H9NO2
Heavy Atom Count
11
Molecular Weight
151.165
Exact Molecular Weight
151.0633
Valence Electrons
58
Radical Electrons
0
tPSA
37.38
MolLogP
0.8351
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
20 20 0 0 0 0 0 0 0 0999 V2000
-4.0788 0.0366 0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0669 -0.0784 -0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7068 0.0078 -0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6499 -0.1015 -0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6579 -0.0101 -0.2850 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2394 -0.8663 0.7151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6491 -1.8332 1.2759 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6327 -0.3855 0.9376 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9524 0.4065 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6330 0.9706 -0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3557 2.0700 -1.2140 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0819 -0.0287 -0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9016 0.1970 1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2292 -0.2386 -1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5330 0.1722 1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8154 -0.2621 -1.8649 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2722 -1.2847 1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6731 0.2675 1.8272 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6825 1.1906 -0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3155 -0.2298 -1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 3
4 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
10 5 1 0
1 12 1 0
1 13 1 0
2 14 1 0
3 15 1 0
4 16 1 0
8 17 1 0
8 18 1 0
9 19 1 0
9 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers