3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone

C11H17NO3 — CID 71925558

IUPAC3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2=CCCCO2)CCO1
InChIInChI=1S/C11H17NO3/c1-9-8-12(5-7-14-9)11(13)10-4-2-3-6-15-10/h4,9H,2-3,5-8H2,1H3
InChIKeyXSHKBASPNKLSHP-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.93
Rot. Bonds1

About 3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone (PubChem CID 71925558) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone
PubChem CID71925558
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2=CCCCO2)CCO1
InChIInChI=1S/C11H17NO3/c1-9-8-12(5-7-14-9)11(13)10-4-2-3-6-15-10/h4,9H,2-3,5-8H2,1H3
InChIKeyXSHKBASPNKLSHP-UHFFFAOYSA-N
XLogP0.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone (CID 71925558) is 3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)C2=CCCCO2)CCO1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone?
The InChIKey is XSHKBASPNKLSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-9-8-12(5-7-14-9)11(13)10-4-2-3-6-15-10/h4,9H,2-3,5-8H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone has a molecular weight of 211.26 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 71925558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).