sodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride

C8H9ClN3NaO — CID 87959016

IUPACsodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride
SMILESO=C1CCCN1c1nccnc1Cl.[H-].[Na+]
InChIInChI=1S/C8H8ClN3O.Na.H/c9-7-8(11-4-3-10-7)12-5-1-2-6(12)13;;/h3-4H,1-2,5H2;;/q;+1;-1
InChIKeyYHIQXHIKOABGGI-UHFFFAOYSA-N
MW221.62 g/mol
LogP-1.63
Rot. Bonds1

About sodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride

sodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride (PubChem CID 87959016) has the molecular formula C8H9ClN3NaO and a molecular weight of 221.62 g/mol. Its IUPAC name is sodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride.

Molecular Properties

Compound Namesodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride
PubChem CID87959016
Molecular FormulaC8H9ClN3NaO
Molecular Weight221.62 g/mol
Exact Mass221.03
IUPAC Namesodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride
SMILESO=C1CCCN1c1nccnc1Cl.[H-].[Na+]
InChIInChI=1S/C8H8ClN3O.Na.H/c9-7-8(11-4-3-10-7)12-5-1-2-6(12)13;;/h3-4H,1-2,5H2;;/q;+1;-1
InChIKeyYHIQXHIKOABGGI-UHFFFAOYSA-N
XLogP-1.63
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.62
LogP ≤ 5-1.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride?
The IUPAC name of sodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride (CID 87959016) is sodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride.
What is the SMILES notation for sodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride?
The canonical SMILES for sodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride is O=C1CCCN1c1nccnc1Cl.[H-].[Na+].
What is the InChIKey of sodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride?
The InChIKey is YHIQXHIKOABGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O.Na.H/c9-7-8(11-4-3-10-7)12-5-1-2-6(12)13;;/h3-4H,1-2,5H2;;/q;+1;-1.
What are the key properties of sodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride?
sodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride has a molecular weight of 221.62 g/mol, XLogP of -1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-(3-chloropyrazin-2-yl)pyrrolidin-2-one;hydride is sourced from PubChem (CID 87959016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).