4-Hydroxycyclopent-2-en-1-one

C₅H₆O₂CAS 61305-27-998.10 g/mol

Open in Covalent MOL file

Alcohol Alkene Ketone

Properties

Molecular formula: C₅H₆O₂
Molar mass: 98.10 g/mol
Exact mass: 98.0368 Da
logP: -0.12Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

61305-27-9

SMILES

C1C(C=CC1=O)O

InChIKey

DHNDDRBMUVFQIZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-2,4,6H,3H2

Weigh it out

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

Names and synonyms

1 names

Akos bb-9928

Work with 4-Hydroxycyclopent-2-en-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Cyclohex-2-enedione4505-38-833 % similar 2-Cyclopentene-1,4-dione930-60-933 % similar rac-(1R,4S)-4-Hydroxycyclopent-2-en-1-yl acetate60410-16-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-butynoate23326-27-4 2-Methoxyfuran25414-22-6 5,6-Dihydro-2H-pyran-2-one3393-45-1 1,3-Cyclopentanedione3859-41-4 3-Furanmethanol4412-91-3 Tulipalin A547-65-9 Alpha-Angelica lactone591-12-8 4-Pentynoic acid6089-09-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook