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
   -0.5509    2.3104    0.4654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2294    1.1530    0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1244    0.6205   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0647   -0.7131    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3270   -1.1151    0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7460   -2.1691    0.8295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1138    0.0166   -0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0266    1.2311   -0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9255   -1.3955    0.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1195    0.0869    0.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0547   -0.0258   -1.4142 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