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
   -1.8035   -1.4181    0.7962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9647   -0.6353    0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0124    0.8092    0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2351    1.2824   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1739    0.1726    0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4062    0.2144    0.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3756   -1.0495   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9431    1.3685    0.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4994    2.3184   -0.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2733   -1.1145   -1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7603   -1.9480    0.2328 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