3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one

C9H11N3O2 — CID 130162707

IUPAC3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
SMILESO=C1CCC(Cn2cnccc2=O)N1
InChIInChI=1S/C9H11N3O2/c13-8-2-1-7(11-8)5-12-6-10-4-3-9(12)14/h3-4,6-7H,1-2,5H2,(H,11,13)
InChIKeyLWEMDYODZODBHC-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.48
Rot. Bonds2

About 3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one

3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one (PubChem CID 130162707) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
PubChem CID130162707
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
SMILESO=C1CCC(Cn2cnccc2=O)N1
InChIInChI=1S/C9H11N3O2/c13-8-2-1-7(11-8)5-12-6-10-4-3-9(12)14/h3-4,6-7H,1-2,5H2,(H,11,13)
InChIKeyLWEMDYODZODBHC-UHFFFAOYSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one (CID 130162707) is 3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one is O=C1CCC(Cn2cnccc2=O)N1.
What is the InChIKey of 3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is LWEMDYODZODBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-8-2-1-7(11-8)5-12-6-10-4-3-9(12)14/h3-4,6-7H,1-2,5H2,(H,11,13).
What are the key properties of 3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 193.21 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 130162707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).