Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Pyrrolidone
RN: 616-45-5
UNII: KKL5D39EOL
InChIKey: HNJBEVLQSNELDL-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C4-H7-N-O

Molecular Weight

  • 85.1053
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2-Pyrrolidone

Synonyms

  • 2-Ketopyrrolidine
  • 2-Oxopyrrolidine
  • 2-Pyrol
  • 2-Pyrrolidinone
  • 2-Pyrrolidone
  • 4-Aminobutyric acid lactam
  • alpha-Pyrrolidinone
  • Butanoic acid, 4-amino-, lactam
  • Butyrolactam
  • EC 210-483-1
  • EINECS 210-483-1
  • gamma-Aminobutyric acid lactam
  • gamma-Aminobutyric lactam
  • gamma-Aminobutyrolactam
  • HSDB 2652
  • LAM
  • NSC 4593
  • NSC 8413
  • Pyrrolidon
  • Pyrrolidon [German]
  • Pyrrolidone
  • UNII-KKL5D39EOL

Systematic Names

  • 2-Pyrrolidinone
  • 2-Pyrrolidone

Superlist Names

  • 2-Pyrrolidinone
  • 2-Pyrrolidone

Registry Numbers

CAS Registry Number

  • 616-45-5

FDA UNII

  • KKL5D39EOL

Related Registry Numbers

  • 52215-12-0 (HBr3)
  • 63886-26-0 (hydrochloride)

System Generated Number

  • 0000616455

Structure Descriptors

InChI

1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)

InChIKey

HNJBEVLQSNELDL-UHFFFAOYSA-N

Smiles

C1CC(=O)NC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 6500mg/kg (6500mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 508, 1969.
mouse LD50 intraperitoneal 3700mg/kg (3700mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Archivum Immunologiae et Therapiae Experimentalis. Vol. 13, Pg. 70, 1965.
mouse LDLo subcutaneous 10gm/kg (10000mg/kg)   Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903.
rabbit LDLo intravenous 800mg/kg (800mg/kg)   Archivum Immunologiae et Therapiae Experimentalis. Vol. 13, Pg. 70, 1965.
rat LD50 intraperitoneal 160mg/kg (160mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: COMA
Trudy Volgogradskogo Gosudarstvennogo Meditsinskogo Instituta. Transactions of the Volgograd State Medical Institute. Vol. 31, Pg. 160, 1979.
rat LD50 intravenous > 7200mg/kg (7200mg/kg)   United States Patent Document. Vol. #3380887,
rat LD50 oral 328mg/kg (328mg/kg) BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Trudy Volgogradskogo Gosudarstvennogo Meditsinskogo Instituta. Transactions of the Volgograd State Medical Institute. Vol. 31, Pg. 160, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 23 deg C   EXP
Boiling Point 245 deg C   EXP
pKa Dissociation Constant 14.7 (none) 25 EXP
log P (octanol-water) -0.85 (none)   EXP
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 0.00949 mm Hg 25 EXP
Henry's Law Constant 1.06E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.19E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.