4-Hydroxy-2-pyrrolidinone

C₄H₇NO₂CAS 25747-41-5101.10 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₄H₇NO₂
Molar mass: 101.10 g/mol
Exact mass: 101.0477 Da
Melting point: 85 °C
Boiling point: 130–150 °C (at NaN Torr)
logP: -0.29Crippen estimate
Polar surface area: 52.8 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, 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

25747-41-5

SMILES

OC1=NCC(O)C1

InChIKey

IOGISYQVOGVIEU-UHFFFAOYSA-N

InChI

InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)

Weigh it out

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

Names and synonyms

6 names

2-Pyrrolidinone, 4-hydroxy-
γ-Amino-β-hydroxybutyric lactam
β-Hydroxy-γ-aminobutyrolactam
4-Hydroxy-2-pyrrolidone
DL-2-Oxo-4-hydroxypyrrolidine
(±)-4-Hydroxypyrrolidone

Work with 4-Hydroxy-2-pyrrolidinone

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.

(R)-(+)-4-Hydroxy-2-pyrrolidinone22677-21-0Defined stereoisomer (S)-4-Hydroxy-2-pyrrolidinone68108-18-9Defined stereoisomer

Similar compounds

4-Phenyl-2-pyrrolidinone1198-97-641 % similar 2,5-Diketopiperazine106-57-035 % similar Isovalerylglycine16284-60-932 % similar 2-Azetidinone930-21-232 % similar Piperazinone5625-67-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Morpholinone109-11-5 3-Hydroxy-2-pyrrolidinone15166-68-4 3-Methyl-2-oxazolidinone19836-78-3 Azetidine-2-carboxylic acid2133-34-8 1-Aminocyclopropane-1-carboxylic acid22059-21-8 (±)-2-Azetidinecarboxylic acid2517-04-6 3-Azetidinecarboxylic acid36476-78-5

Elsewhere

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