1-(5-methylpyrazin-2-yl)pyrrolidin-2-one

C9H11N3O — CID 66587899

IUPAC1-(5-methylpyrazin-2-yl)pyrrolidin-2-one
SMILESCc1cnc(N2CCCC2=O)cn1
InChIInChI=1S/C9H11N3O/c1-7-5-11-8(6-10-7)12-4-2-3-9(12)13/h5-6H,2-4H2,1H3
InChIKeyVWHRWHPCZOBWFE-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.91
Rot. Bonds1

About 1-(5-methylpyrazin-2-yl)pyrrolidin-2-one

1-(5-methylpyrazin-2-yl)pyrrolidin-2-one (PubChem CID 66587899) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)pyrrolidin-2-one
PubChem CID66587899
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-(5-methylpyrazin-2-yl)pyrrolidin-2-one
SMILESCc1cnc(N2CCCC2=O)cn1
InChIInChI=1S/C9H11N3O/c1-7-5-11-8(6-10-7)12-4-2-3-9(12)13/h5-6H,2-4H2,1H3
InChIKeyVWHRWHPCZOBWFE-UHFFFAOYSA-N
XLogP0.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-methylpyrazin-2-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(5-methylpyrazin-2-yl)pyrrolidin-2-one (CID 66587899) is 1-(5-methylpyrazin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)pyrrolidin-2-one is Cc1cnc(N2CCCC2=O)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)pyrrolidin-2-one?
The InChIKey is VWHRWHPCZOBWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7-5-11-8(6-10-7)12-4-2-3-9(12)13/h5-6H,2-4H2,1H3.
What are the key properties of 1-(5-methylpyrazin-2-yl)pyrrolidin-2-one?
1-(5-methylpyrazin-2-yl)pyrrolidin-2-one has a molecular weight of 177.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 66587899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).