3-Pyrrolidinone, hydrochloride (1:1)

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

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

1 names

3-Pyrrolidinone, hydrochloride

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

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

3-Pyrrolidinone96-42-484 % similar 4-Piperidone hydrochloride41979-39-971 % similar 4-Piperidinone41661-47-657 % similar 3-Fluoropiperidin-4-one hydrochloride1070896-59-138 % similar 1,4,7,10-Tetraazacyclododecane, hydrochloride (1:4)10045-25-733 % similar Piperazine hydrochloride142-64-333 % similar 2,2,6,6-Tetramethyl-4-piperidone hydrochloride33973-59-033 % similar Ethylenediaminediacetic acid5657-17-033 % 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

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