4-(Hydroxymethyl)-2-pyrrolidinone - CAS 64320-89-4

Catalog:	BB032435
Product Name:	4-(Hydroxymethyl)-2-pyrrolidinone
CAS:	64320-89-4
Synonyms:	4-(hydroxymethyl)-2-pyrrolidinone; 4-(hydroxymethyl)pyrrolidin-2-one

Technical Data

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Computed Properties

IUPAC Name:	4-(hydroxymethyl)pyrrolidin-2-one
Description:	Intermediate in the preparation of aminopiperidines and related compounds as MCH receptor modulators useful in the treatment of metabolic, feeding and sexual disorders in humans.
Molecular Weight:	115.13
Molecular Formula:	C5H9NO2
Canonical SMILES:	C1C(CNC1=O)CO
InChI:	InChI=1S/C5H9NO2/c7-3-4-1-5(8)6-2-4/h4,7H,1-3H2,(H,6,8)
InChI Key:	KTOFYLXSANIPND-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD11845728
LogP:	-0.55640

Publication Number	Title	Priority Date
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
WO-2021163254-A1	Heterocyclic pad4 inhibitors	20200212
TW-202045489-A	Protein secretion inhibitors	20190228
WO-2020176863-A1	Thiazole derivatives as protein secretion inhibitors	20190228
CN-109897011-A	A kind of IDO inhibitor and its application	20171208

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501
Signal Word:	Warning

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.063328530
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	115.063328530
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.2