4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine

C11H18N2O — CID 88583947

IUPAC4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine
SMILESC#CC1CC[C@H](CN2CCOCC2)N1
InChIInChI=1S/C11H18N2O/c1-2-10-3-4-11(12-10)9-13-5-7-14-8-6-13/h1,10-12H,3-9H2/t10?,11-/m1/s1
InChIKeyCTVMJKKKPIZOND-RRKGBCIJSA-N
MW194.28 g/mol
LogP0.07
Rot. Bonds2

About 4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine

4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine (PubChem CID 88583947) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine
PubChem CID88583947
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine
SMILESC#CC1CC[C@H](CN2CCOCC2)N1
InChIInChI=1S/C11H18N2O/c1-2-10-3-4-11(12-10)9-13-5-7-14-8-6-13/h1,10-12H,3-9H2/t10?,11-/m1/s1
InChIKeyCTVMJKKKPIZOND-RRKGBCIJSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine (CID 88583947) is 4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine is C#CC1CC[C@H](CN2CCOCC2)N1.
What is the InChIKey of 4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine?
The InChIKey is CTVMJKKKPIZOND-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-10-3-4-11(12-10)9-13-5-7-14-8-6-13/h1,10-12H,3-9H2/t10?,11-/m1/s1.
What are the key properties of 4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine?
4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine has a molecular weight of 194.28 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-5-ethynylpyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 88583947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).