2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine

C11H16N2O2 — CID 116874029

IUPAC2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine
SMILESc1cc(C2(C3CNCCO3)COC2)c[nH]1
InChIInChI=1S/C11H16N2O2/c1-2-12-5-9(1)11(7-14-8-11)10-6-13-3-4-15-10/h1-2,5,10,12-13H,3-4,6-8H2
InChIKeyQHRFEETZRKGLLV-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.27
Rot. Bonds2

About 2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine

2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine (PubChem CID 116874029) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine.

Molecular Properties

Compound Name2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine
PubChem CID116874029
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine
SMILESc1cc(C2(C3CNCCO3)COC2)c[nH]1
InChIInChI=1S/C11H16N2O2/c1-2-12-5-9(1)11(7-14-8-11)10-6-13-3-4-15-10/h1-2,5,10,12-13H,3-4,6-8H2
InChIKeyQHRFEETZRKGLLV-UHFFFAOYSA-N
XLogP0.27
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine?
The IUPAC name of 2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine (CID 116874029) is 2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine.
What is the SMILES notation for 2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine?
The canonical SMILES for 2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine is c1cc(C2(C3CNCCO3)COC2)c[nH]1.
What is the InChIKey of 2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine?
The InChIKey is QHRFEETZRKGLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-12-5-9(1)11(7-14-8-11)10-6-13-3-4-15-10/h1-2,5,10,12-13H,3-4,6-8H2.
What are the key properties of 2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine?
2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine has a molecular weight of 208.26 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]morpholine is sourced from PubChem (CID 116874029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).