5-methyl-1-pyrazin-2-ylpyrrolidin-2-one

C9H11N3O — CID 129054063

IUPAC5-methyl-1-pyrazin-2-ylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1cnccn1
InChIInChI=1S/C9H11N3O/c1-7-2-3-9(13)12(7)8-6-10-4-5-11-8/h4-7H,2-3H2,1H3
InChIKeyFTYQILGTVCTLOV-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.99
Rot. Bonds1

About 5-methyl-1-pyrazin-2-ylpyrrolidin-2-one

5-methyl-1-pyrazin-2-ylpyrrolidin-2-one (PubChem CID 129054063) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-methyl-1-pyrazin-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-1-pyrazin-2-ylpyrrolidin-2-one
PubChem CID129054063
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name5-methyl-1-pyrazin-2-ylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1cnccn1
InChIInChI=1S/C9H11N3O/c1-7-2-3-9(13)12(7)8-6-10-4-5-11-8/h4-7H,2-3H2,1H3
InChIKeyFTYQILGTVCTLOV-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pyrazin-2-ylpyrrolidin-2-one?
The IUPAC name of 5-methyl-1-pyrazin-2-ylpyrrolidin-2-one (CID 129054063) is 5-methyl-1-pyrazin-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-methyl-1-pyrazin-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-methyl-1-pyrazin-2-ylpyrrolidin-2-one is CC1CCC(=O)N1c1cnccn1.
What is the InChIKey of 5-methyl-1-pyrazin-2-ylpyrrolidin-2-one?
The InChIKey is FTYQILGTVCTLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7-2-3-9(13)12(7)8-6-10-4-5-11-8/h4-7H,2-3H2,1H3.
What are the key properties of 5-methyl-1-pyrazin-2-ylpyrrolidin-2-one?
5-methyl-1-pyrazin-2-ylpyrrolidin-2-one has a molecular weight of 177.21 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pyrazin-2-ylpyrrolidin-2-one is sourced from PubChem (CID 129054063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).