3-(2H-pyran-2-yl)morpholine

C9H13NO2 — CID 173077497

IUPAC3-(2H-pyran-2-yl)morpholine
SMILESC1=COC(C2COCCN2)C=C1
InChIInChI=1S/C9H13NO2/c1-2-5-12-9(3-1)8-7-11-6-4-10-8/h1-3,5,8-10H,4,6-7H2
InChIKeyVYKPWTUBILBRCN-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.44
Rot. Bonds1

About 3-(2H-pyran-2-yl)morpholine

3-(2H-pyran-2-yl)morpholine (PubChem CID 173077497) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(2H-pyran-2-yl)morpholine.

Molecular Properties

Compound Name3-(2H-pyran-2-yl)morpholine
PubChem CID173077497
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-(2H-pyran-2-yl)morpholine
SMILESC1=COC(C2COCCN2)C=C1
InChIInChI=1S/C9H13NO2/c1-2-5-12-9(3-1)8-7-11-6-4-10-8/h1-3,5,8-10H,4,6-7H2
InChIKeyVYKPWTUBILBRCN-UHFFFAOYSA-N
XLogP0.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-pyran-2-yl)morpholine?
The IUPAC name of 3-(2H-pyran-2-yl)morpholine (CID 173077497) is 3-(2H-pyran-2-yl)morpholine.
What is the SMILES notation for 3-(2H-pyran-2-yl)morpholine?
The canonical SMILES for 3-(2H-pyran-2-yl)morpholine is C1=COC(C2COCCN2)C=C1.
What is the InChIKey of 3-(2H-pyran-2-yl)morpholine?
The InChIKey is VYKPWTUBILBRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-5-12-9(3-1)8-7-11-6-4-10-8/h1-3,5,8-10H,4,6-7H2.
What are the key properties of 3-(2H-pyran-2-yl)morpholine?
3-(2H-pyran-2-yl)morpholine has a molecular weight of 167.21 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-pyran-2-yl)morpholine is sourced from PubChem (CID 173077497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).