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
3.9061 -0.9939 -0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0621 -0.0388 -0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6293 -0.2985 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8057 0.6716 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6070 0.4643 0.1915 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3668 0.0711 -0.9562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8852 -0.3421 -2.0523 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7896 0.2563 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7296 -0.1048 0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4814 0.6047 1.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2073 1.2100 2.3754 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5134 -1.9626 -0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9724 -0.8412 -0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4686 0.9362 0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2277 -1.2637 -0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1709 1.6621 0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4804 -0.3892 -1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0886 1.3335 -0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6118 0.2232 1.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5086 -1.1981 1.0433 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