1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one

C9H11N3O2 — CID 130961455

IUPAC1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one
SMILESO=C1CC(Cn2ccncc2=O)CN1
InChIInChI=1S/C9H11N3O2/c13-8-3-7(4-11-8)6-12-2-1-10-5-9(12)14/h1-2,5,7H,3-4,6H2,(H,11,13)
InChIKeyUYMDKLRWCPMZIM-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.62
Rot. Bonds2

About 1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one

1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one (PubChem CID 130961455) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one
PubChem CID130961455
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one
SMILESO=C1CC(Cn2ccncc2=O)CN1
InChIInChI=1S/C9H11N3O2/c13-8-3-7(4-11-8)6-12-2-1-10-5-9(12)14/h1-2,5,7H,3-4,6H2,(H,11,13)
InChIKeyUYMDKLRWCPMZIM-UHFFFAOYSA-N
XLogP-0.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one?
The IUPAC name of 1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one (CID 130961455) is 1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one.
What is the SMILES notation for 1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one?
The canonical SMILES for 1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one is O=C1CC(Cn2ccncc2=O)CN1.
What is the InChIKey of 1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one?
The InChIKey is UYMDKLRWCPMZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-8-3-7(4-11-8)6-12-2-1-10-5-9(12)14/h1-2,5,7H,3-4,6H2,(H,11,13).
What are the key properties of 1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one?
1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one has a molecular weight of 193.21 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-oxopyrrolidin-3-yl)methyl]pyrazin-2-one is sourced from PubChem (CID 130961455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).