(5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone

C9H10ClN3O — CID 58574087

IUPAC(5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(Cl)cn1)N1CCCC1
InChIInChI=1S/C9H10ClN3O/c10-8-6-11-7(5-12-8)9(14)13-3-1-2-4-13/h5-6H,1-4H2
InChIKeyZJSNMXJHOCFSNJ-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.37
Rot. Bonds1

About (5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone

(5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 58574087) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is (5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID58574087
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name(5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(Cl)cn1)N1CCCC1
InChIInChI=1S/C9H10ClN3O/c10-8-6-11-7(5-12-8)9(14)13-3-1-2-4-13/h5-6H,1-4H2
InChIKeyZJSNMXJHOCFSNJ-UHFFFAOYSA-N
XLogP1.37
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone (CID 58574087) is (5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone is O=C(c1cnc(Cl)cn1)N1CCCC1.
What is the InChIKey of (5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is ZJSNMXJHOCFSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c10-8-6-11-7(5-12-8)9(14)13-3-1-2-4-13/h5-6H,1-4H2.
What are the key properties of (5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone?
(5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 211.65 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrazin-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 58574087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).