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
3.6474 -0.9768 0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3577 -0.5817 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7696 -0.0978 -1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5775 0.3347 -1.3026 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5537 0.4901 -0.4701 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8785 0.8033 -0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1086 1.3542 -2.1118 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8517 0.3540 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0382 -0.2285 1.1286 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7115 0.4575 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0596 0.8936 1.8034 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0854 -1.3408 1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2418 -0.9285 -0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8255 -0.6797 1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4714 -0.0997 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4324 0.6555 -2.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3524 1.2649 0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5968 -0.3599 -0.3983 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4502 0.0068 2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9266 -1.3212 0.9440 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