Pyrrolidin-3-one hydrochloride

C₄H₈ClNOCAS 3760-52-9121.56 g/mol

Open in Covalent MOL file

Ketone Secondary amine

Properties

Molecular formula: C₄H₈ClNO
Molar mass: 121.56 g/mol
Exact mass: 121.0294 Da
Melting point: 141–142 °C
logP: -0.03Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed80% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H412 Harmful to aquatic life with long lasting effects40% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3760-52-9

SMILES

Cl.O=C1CCNC1

InChIKey

DPSTYIOIVSHZRI-UHFFFAOYSA-N

InChI

InChI=1S/C4H7NO.ClH/c6-4-1-2-5-3-4;/h5H,1-3H2;1H

Weigh it out

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

Names and synonyms

2 names

3-Pyrrolidinone, hydrochloride (1:1)
3-Pyrrolidinone, hydrochloride

Work with Pyrrolidin-3-one hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Pyrrolidinone96-42-4Free base

Similar compounds

Piperidin-3-one hydrochloride61644-00-674 % similar 4-Piperidone hydrochloride41979-39-971 % similar 4-Piperidone hydrochloride hydrate320589-77-363 % similar Azetidin-3-one Hydrochloride17557-84-562 % similar Azepan-4-one hydrochloride50492-22-360 % similar 4-Piperidinone41661-47-657 % similar 2-Methylpiperidin-4-one hydrochloride13729-77-647 % similar 4-Methylenepiperidine hydrochloride144230-50-238 % similar

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

Same formula

3-Aminocyclobutan-1-one hydrochloride1035374-20-9 2-Chloro-N,N-dimethylacetamide2675-89-0 N-Ethyl-N-methylcarbamic chloride42252-34-6 N-(2-Chloroethyl)acetamide7355-58-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook