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
    0.2349    2.3631   -0.5174 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2039    1.1561   -0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2921    0.1891   -0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7692   -1.0454   -0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6841   -0.9670   -0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4502   -1.8960   -0.4956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0307    0.4359    0.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3296    0.4824    0.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3528   -1.9534    0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9364    0.8025   -0.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0812    0.4326    1.3632 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