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

C9H15N3O2 — CID 129355482

IUPAC4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one
SMILESO=C1C[C@@H](CN2CCNC(=O)C2)CN1
InChIInChI=1S/C9H15N3O2/c13-8-3-7(4-11-8)5-12-2-1-10-9(14)6-12/h7H,1-6H2,(H,10,14)(H,11,13)/t7-/m1/s1
InChIKeyJCFOKEURBHRWSG-SSDOTTSWSA-N
MW197.24 g/mol
LogP-1.45
Rot. Bonds2

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

4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one (PubChem CID 129355482) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one
PubChem CID129355482
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one
SMILESO=C1C[C@@H](CN2CCNC(=O)C2)CN1
InChIInChI=1S/C9H15N3O2/c13-8-3-7(4-11-8)5-12-2-1-10-9(14)6-12/h7H,1-6H2,(H,10,14)(H,11,13)/t7-/m1/s1
InChIKeyJCFOKEURBHRWSG-SSDOTTSWSA-N
XLogP-1.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one (CID 129355482) is 4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one is O=C1C[C@@H](CN2CCNC(=O)C2)CN1.
What is the InChIKey of 4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one?
The InChIKey is JCFOKEURBHRWSG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-8-3-7(4-11-8)5-12-2-1-10-9(14)6-12/h7H,1-6H2,(H,10,14)(H,11,13)/t7-/m1/s1.
What are the key properties of 4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one?
4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one has a molecular weight of 197.24 g/mol, XLogP of -1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one is sourced from PubChem (CID 129355482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).