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

C11H17NO3 — CID 102646951

IUPAC3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone
SMILESCN1CCOC(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C11H17NO3/c1-12-5-7-15-10(8-12)11(13)9-4-2-3-6-14-9/h4,10H,2-3,5-8H2,1H3
InChIKeySSJYJXXLWIHKSJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.58
Rot. Bonds2

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

3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone (PubChem CID 102646951) 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-(4-methylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone
PubChem CID102646951
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone
SMILESCN1CCOC(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C11H17NO3/c1-12-5-7-15-10(8-12)11(13)9-4-2-3-6-14-9/h4,10H,2-3,5-8H2,1H3
InChIKeySSJYJXXLWIHKSJ-UHFFFAOYSA-N
XLogP0.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dimethoxy-5-methyl-6-morpholinomethyl-1,4-benzoquinone
CID 13518542
ethene;2-ethoxy-1-[4-[(Z)-2-methylidenepent-3-enyl]morpholin-2-yl]prop-2-en-1-one
CID 162740825
3-Methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-one
CID 79189830
1-(4-Ethylmorpholin-2-yl)-3-methylbut-2-en-1-one
CID 79667262
3-Methyl-1-(4-propylmorpholin-2-yl)but-2-en-1-one
CID 79669383
2-Methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one
CID 82064668
3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102646950
3,4-dihydro-2H-pyran-6-yl-(4-ethylmorpholin-2-yl)methanone
CID 102646960
3,4-dihydro-2H-pyran-6-yl-(4-propylmorpholin-2-yl)methanone
CID 102646961
3,4-dihydro-2H-pyran-6-yl-(4-propan-2-ylmorpholin-2-yl)methanone
CID 102646962
3,4-dihydro-2H-pyran-6-yl(morpholin-2-yl)methanone
CID 102648319
3-(Diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one
CID 102651026

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone (CID 102646951) is 3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone is CN1CCOC(C(=O)C2=CCCCO2)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone?
The InChIKey is SSJYJXXLWIHKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-12-5-7-15-10(8-12)11(13)9-4-2-3-6-14-9/h4,10H,2-3,5-8H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone has a molecular weight of 211.26 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(4-methylmorpholin-2-yl)methanone is sourced from PubChem (CID 102646951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).