3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one

C9H16N2O2 — CID 89425434

IUPAC3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one
SMILESC[C@H]1CN(C2CCNC2=O)CCO1
InChIInChI=1S/C9H16N2O2/c1-7-6-11(4-5-13-7)8-2-3-10-9(8)12/h7-8H,2-6H2,1H3,(H,10,12)/t7-,8?/m0/s1
InChIKeyGFFSEPOZBNYJRG-JAMMHHFISA-N
MW184.24 g/mol
LogP-0.40
Rot. Bonds1

About 3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one

3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one (PubChem CID 89425434) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one
PubChem CID89425434
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one
SMILESC[C@H]1CN(C2CCNC2=O)CCO1
InChIInChI=1S/C9H16N2O2/c1-7-6-11(4-5-13-7)8-2-3-10-9(8)12/h7-8H,2-6H2,1H3,(H,10,12)/t7-,8?/m0/s1
InChIKeyGFFSEPOZBNYJRG-JAMMHHFISA-N
XLogP-0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one?
The IUPAC name of 3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one (CID 89425434) is 3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one is C[C@H]1CN(C2CCNC2=O)CCO1.
What is the InChIKey of 3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one?
The InChIKey is GFFSEPOZBNYJRG-JAMMHHFISA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7-6-11(4-5-13-7)8-2-3-10-9(8)12/h7-8H,2-6H2,1H3,(H,10,12)/t7-,8?/m0/s1.
What are the key properties of 3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one?
3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methylmorpholin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 89425434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).