chempirical

3-Cyclopenten-1-one

C5H6OCAS 14320-37-782.10 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C5H6O
Molar mass
82.10 g/mol
Exact mass
82.0419 Da
Density
0.9821 g/mL (at 20 °C)
Melting point
65.3–65.6 °C
Boiling point
133–135 °C
logP
0.91Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
14320-37-7
SMILES
O=C1CC=CC1
InChIKey
KQAVUGAZLAPNJY-UHFFFAOYSA-N
InChI
InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2

Weigh it out

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

Names and synonyms

3 names
  • 3-Cyclopentenone
  • δ3-Cyclopentenone
  • 1-Cyclopenten-4-one

Work with 3-Cyclopenten-1-one

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

1,3-Cyclopentanedione3859-41-444 % similar 3-Hexenedioic acid4436-74-242 % similar Civetone542-46-136 % similar Cyclohexanone108-94-133 % similar trans-3-Hexenoic acid1577-18-033 % similar Cyclooctanone502-49-833 % similar Cyclopentadecanone502-72-733 % similar 3-Oxetanone6704-31-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methylfuran534-22-5 3-Methylfuran930-27-8 Cyclopentenone930-30-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook