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
4.1066 0.3554 0.9317 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8952 0.1437 0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5089 -0.0986 0.8497 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8141 0.2881 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5881 0.0825 -0.3877 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3547 0.4671 -1.5542 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8431 0.8457 -2.6606 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7764 0.3320 -1.1991 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7600 -0.8195 -0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5011 -0.5092 0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3281 -0.7499 1.7394 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8445 0.1413 1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6074 0.8736 0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9444 -0.4605 2.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9148 -0.5735 1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3599 0.7702 -1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0729 1.2816 -0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4212 0.1015 -2.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7422 -1.7768 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6080 -0.6948 0.4849 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