1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one

C12H19N3O2 — CID 55155852

IUPAC1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one
SMILESCC(C)(C)n1ccnc(OC2CCNC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-12(2,3)15-7-6-14-10(11(15)16)17-9-4-5-13-8-9/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyJGEOZPOUXXTVIA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.74
Rot. Bonds2

About 1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one

1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one (PubChem CID 55155852) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one
PubChem CID55155852
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one
SMILESCC(C)(C)n1ccnc(OC2CCNC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-12(2,3)15-7-6-14-10(11(15)16)17-9-4-5-13-8-9/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyJGEOZPOUXXTVIA-UHFFFAOYSA-N
XLogP0.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one (CID 55155852) is 1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one is CC(C)(C)n1ccnc(OC2CCNC2)c1=O.
What is the InChIKey of 1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one?
The InChIKey is JGEOZPOUXXTVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)15-7-6-14-10(11(15)16)17-9-4-5-13-8-9/h6-7,9,13H,4-5,8H2,1-3H3.
What are the key properties of 1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one?
1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-pyrrolidin-3-yloxypyrazin-2-one is sourced from PubChem (CID 55155852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).