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
-1.8035 -1.4181 0.7962 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9647 -0.6353 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0124 0.8092 0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2351 1.2824 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1739 0.1726 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4062 0.2144 0.2745 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3756 -1.0495 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9431 1.3685 0.1036 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4994 2.3184 -0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2733 -1.1145 -1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7603 -1.9480 0.2328 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