3-Cyclopenten-1-one
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
Hazards
Warning
- H226 Flammable liquid and vapor66.7% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation83.3% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
14320-37-7SMILES
O=C1CC=CC1InChIKey
KQAVUGAZLAPNJY-UHFFFAOYSA-NInChI
InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 3-Cyclopentenone
- δ3-Cyclopentenone
- 1-Cyclopenten-4-one
- Cyclopent-3-en-1-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
1,4-Cyclohexanedione637-88-740 % similar
Cycloheptane-1,3-dione1194-18-939 % similar
1,3-Cyclohexanedione504-02-939 % similar
Civetone542-46-136 % similar
Cyclobutanone1191-95-335 % similar
Cyclopentanone120-92-335 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.