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
   -0.4070    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