1-(3-chloropyrazin-2-yl)pyrrolidin-2-one

C8H8ClN3O — CID 53249715

IUPAC1-(3-chloropyrazin-2-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1nccnc1Cl
InChIInChI=1S/C8H8ClN3O/c9-7-8(11-4-3-10-7)12-5-1-2-6(12)13/h3-4H,1-2,5H2
InChIKeyRYWLMDCSPUTEGA-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.26
Rot. Bonds1

About 1-(3-chloropyrazin-2-yl)pyrrolidin-2-one

1-(3-chloropyrazin-2-yl)pyrrolidin-2-one (PubChem CID 53249715) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 1-(3-chloropyrazin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chloropyrazin-2-yl)pyrrolidin-2-one
PubChem CID53249715
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name1-(3-chloropyrazin-2-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1nccnc1Cl
InChIInChI=1S/C8H8ClN3O/c9-7-8(11-4-3-10-7)12-5-1-2-6(12)13/h3-4H,1-2,5H2
InChIKeyRYWLMDCSPUTEGA-UHFFFAOYSA-N
XLogP1.26
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropyrazin-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(3-chloropyrazin-2-yl)pyrrolidin-2-one (CID 53249715) is 1-(3-chloropyrazin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chloropyrazin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-chloropyrazin-2-yl)pyrrolidin-2-one is O=C1CCCN1c1nccnc1Cl.
What is the InChIKey of 1-(3-chloropyrazin-2-yl)pyrrolidin-2-one?
The InChIKey is RYWLMDCSPUTEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c9-7-8(11-4-3-10-7)12-5-1-2-6(12)13/h3-4H,1-2,5H2.
What are the key properties of 1-(3-chloropyrazin-2-yl)pyrrolidin-2-one?
1-(3-chloropyrazin-2-yl)pyrrolidin-2-one has a molecular weight of 197.62 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropyrazin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 53249715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).