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
Resources
cid=

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
   -0.4874   -2.3372    0.4669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1527   -1.1769    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1650   -0.5773   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0720    0.7432    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3322    1.1152    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8017    2.2249    0.5650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1111   -0.0938   -0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0860   -1.1493   -0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8647    1.4832   -0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2423   -0.0516   -1.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0602   -0.1804    0.3485 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