Monomers
4-Cyclopentene-1,3-dione
Identifiers
IUPAC name
cyclopent-4-ene-1,3-dione
InchI
InChI=1S/C5H4O2/c6-4-1-2-5(7)3-4/h1-2H,3H2
InchI Key
MCFZBCCYOPSZLG-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)C1
Canonical SMILES
C1C(=O)C=CC1=O
Isomeric SMILES
C1C(=O)C=CC1=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H4O2
Heavy Atom Count
7
Molecular Weight
96.085
Exact Molecular Weight
96.0211
Valence Electrons
36
Radical Electrons
0
tPSA
34.14
MolLogP
0.0845
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
11 11 0 0 0 0 0 0 0 0999 V2000
-0.0642 2.3782 0.4848 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0480 1.1846 0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2359 0.3601 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9069 -0.9286 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5339 -1.0385 0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1294 -2.0324 0.7336 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0926 0.2613 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2260 0.7969 -0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5922 -1.7682 -0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0171 0.5441 0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1718 0.2424 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
5 7 1 0
7 2 1 0
3 8 1 0
4 9 1 0
7 10 1 0
7 11 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers