1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one

C13H19N3O — CID 70902945

IUPAC1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one
SMILESCCC(C)(C)c1cnc(N2CCCC2=O)cn1
InChIInChI=1S/C13H19N3O/c1-4-13(2,3)10-8-15-11(9-14-10)16-7-5-6-12(16)17/h8-9H,4-7H2,1-3H3
InChIKeyHMTUDFGLOMXMHL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds3

About 1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one

1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one (PubChem CID 70902945) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one
PubChem CID70902945
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one
SMILESCCC(C)(C)c1cnc(N2CCCC2=O)cn1
InChIInChI=1S/C13H19N3O/c1-4-13(2,3)10-8-15-11(9-14-10)16-7-5-6-12(16)17/h8-9H,4-7H2,1-3H3
InChIKeyHMTUDFGLOMXMHL-UHFFFAOYSA-N
XLogP2.29
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one (CID 70902945) is 1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one is CCC(C)(C)c1cnc(N2CCCC2=O)cn1.
What is the InChIKey of 1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one?
The InChIKey is HMTUDFGLOMXMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-13(2,3)10-8-15-11(9-14-10)16-7-5-6-12(16)17/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one?
1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylbutan-2-yl)pyrazin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 70902945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).