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
2.3206 -0.1579 -0.6898 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1552 -0.0522 -0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4634 1.2147 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8435 0.9682 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0836 -0.4666 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2078 -0.9707 -0.3197 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2260 -1.1322 0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8850 2.2121 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6248 1.7016 0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3607 -1.2550 1.2747 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3489 -2.0621 -0.3823 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