4-(2H-pyran-5-yl)morpholine

C9H13NO2 — CID 22493491

IUPAC4-(2H-pyran-5-yl)morpholine
SMILESC1=CC(N2CCOCC2)=COC1
InChIInChI=1S/C9H13NO2/c1-2-9(8-12-5-1)10-3-6-11-7-4-10/h1-2,8H,3-7H2
InChIKeyFEWSQFPGXFTCNI-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.75
Rot. Bonds1

About 4-(2H-pyran-5-yl)morpholine

4-(2H-pyran-5-yl)morpholine (PubChem CID 22493491) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(2H-pyran-5-yl)morpholine.

Molecular Properties

Compound Name4-(2H-pyran-5-yl)morpholine
PubChem CID22493491
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-(2H-pyran-5-yl)morpholine
SMILESC1=CC(N2CCOCC2)=COC1
InChIInChI=1S/C9H13NO2/c1-2-9(8-12-5-1)10-3-6-11-7-4-10/h1-2,8H,3-7H2
InChIKeyFEWSQFPGXFTCNI-UHFFFAOYSA-N
XLogP0.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-pyran-5-yl)morpholine?
The IUPAC name of 4-(2H-pyran-5-yl)morpholine (CID 22493491) is 4-(2H-pyran-5-yl)morpholine.
What is the SMILES notation for 4-(2H-pyran-5-yl)morpholine?
The canonical SMILES for 4-(2H-pyran-5-yl)morpholine is C1=CC(N2CCOCC2)=COC1.
What is the InChIKey of 4-(2H-pyran-5-yl)morpholine?
The InChIKey is FEWSQFPGXFTCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-9(8-12-5-1)10-3-6-11-7-4-10/h1-2,8H,3-7H2.
What are the key properties of 4-(2H-pyran-5-yl)morpholine?
4-(2H-pyran-5-yl)morpholine has a molecular weight of 167.21 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-pyran-5-yl)morpholine is sourced from PubChem (CID 22493491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).