2-Cyclopentene-1,4-dione

C5H4O2CAS 930-60-996.09 g/mol

Open in Covalent MOL file
OO
AlkeneKetone

Properties

Molecular formula
C5H4O2
Molar mass
96.09 g/mol
Exact mass
96.0211 Da
Melting point
37 °C
Boiling point
60 °C
logP
0.08Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number
930-60-9
SMILES
O=C1C=CC(=O)C1
InChIKey
MCFZBCCYOPSZLG-UHFFFAOYSA-N
InChI
InChI=1S/C5H4O2/c6-4-1-2-5(7)3-4/h1-2H,3H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 4-Cyclopentene-1,3-dione
  • Cyclopentenedione
  • Cyclopentene-3,5-dione
  • Cyclopentene-1,3-dione
  • 1-Cyclopentene-3,5-dione
  • NSC 155336
  • 2-Cyclopenten-1,4-dione
  • Cyclopent-4-en-1,3-dione

Reactions

Work with 2-Cyclopentene-1,4-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Cyclohex-2-enedione4505-38-860 % similar Bisdemethoxycurcumin33171-05-041 % similar Cyclopentenone930-30-340 % similar 4-Hexen-3-one2497-21-436 % similar Cyclohexenone930-68-736 % similar 2-Cyclohepten-1-one1121-66-035 % similar 4,4-Dimethyl-2-cyclopenten-1-one22748-16-933 % similar 4-Hydroxycyclopent-2-en-1-one61305-27-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Furancarboxaldehyde498-60-2 Alpha-Pyrone504-31-4 Furfural98-01-1

Elsewhere

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