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
-0.4070 2.3581 0.4537 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1243 1.1733 0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1766 0.5252 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0331 -0.7962 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3839 -1.1159 0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8359 -2.2352 0.5378 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1172 0.1175 -0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1009 1.0962 -0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8501 -1.5183 -0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2249 0.1536 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0676 0.2417 0.3240 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