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2-Pyrrolidinone

CAT: 0572-TRC-P998990-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P998990-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
616-45-5
Synonyms
Pyrrolidin-2-one; Povidone Imp. B (EP); Piracetam Imp. A (EP); 2-Pyrrolidone; 2-Oxo-4-butyrolactam; 2-Oxopyrrolidine; 2-Pyrol; 2-Tetrahydropyrrolone; 4-Aminobutyric acid lactam; Azacyclopentan-2-one; Butanoic acid, 4-amino-, lactam; Butyrolactam; Kollisolv PYR; NSC 4593; NSC 8413; Pyrrolidone; Soluphor P; alpha-Pyrrolidinone; alpha-Pyrrolidone; gamma-Aminobutyric acid lactam; gamma-Aminobutyric lactam; gamma-Aminobutyrolactam; gamma-Butyrolactam; Piracetam Impurity A; Povidone Impurity B
Hazard Statement
Causes serious eye irritation
Purity
>95% (GC)
Smiles
O=C1CCCN1
Molecular Formula
C4 H7 N O
Molecular Weight
85.1
InChI
InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
Additionnal Information
IUPAC name: pyrrolidin-2-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Pyrrolidone

Pyrrolidin-2-one is the simplest member of the class of pyrrolidin-2-ones, consisting of pyrrolidine in which the hydrogens at position 2 are replaced by an oxo group. The lactam arising by the formal intramolecular condensation of the amino and carboxy groups of gamma-aminobutyric acid (GABA). It has a role as a metabolite and a polar solvent.

CAS Number616-45-5
PubChem CID12025
IUPAC Namepyrrolidin-2-one
Molecular FormulaC4H7NO
Molecular Weight85.10
XLogP-0.8
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity69
SMILES
C1CC(=O)NC1
InChI
InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChIKey
HNJBEVLQSNELDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Pyrrolidone
CAS: 616-45-5
CID: 12025
Formula: C4H7NO
MW: 85.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight85.10
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass85.052763847
Monoisotopic Mass85.052763847
Topological Polar Surface Area29.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity69.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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