3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one

C11H21N3O — CID 104870196

IUPAC3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C[C@@H]1CCCN1
InChIInChI=1S/C11H21N3O/c1-2-10-11(15)13-6-7-14(10)8-9-4-3-5-12-9/h9-10,12H,2-8H2,1H3,(H,13,15)/t9-,10?/m0/s1
InChIKeyHFLXROLDQHZPLG-RGURZIINSA-N
MW211.31 g/mol
LogP-0.05
Rot. Bonds3

About 3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one

3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one (PubChem CID 104870196) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one
PubChem CID104870196
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C[C@@H]1CCCN1
InChIInChI=1S/C11H21N3O/c1-2-10-11(15)13-6-7-14(10)8-9-4-3-5-12-9/h9-10,12H,2-8H2,1H3,(H,13,15)/t9-,10?/m0/s1
InChIKeyHFLXROLDQHZPLG-RGURZIINSA-N
XLogP-0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one (CID 104870196) is 3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one is CCC1C(=O)NCCN1C[C@@H]1CCCN1.
What is the InChIKey of 3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one?
The InChIKey is HFLXROLDQHZPLG-RGURZIINSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-10-11(15)13-6-7-14(10)8-9-4-3-5-12-9/h9-10,12H,2-8H2,1H3,(H,13,15)/t9-,10?/m0/s1.
What are the key properties of 3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one?
3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one has a molecular weight of 211.31 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one is sourced from PubChem (CID 104870196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).