morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone

C11H17NO3 — CID 24814125

IUPACmorpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone
SMILESO=C(C1=CCCCCO1)N1CCOCC1
InChIInChI=1S/C11H17NO3/c13-11(12-5-8-14-9-6-12)10-4-2-1-3-7-15-10/h4H,1-3,5-9H2
InChIKeyGSBPTXKQGLLGBT-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.93
Rot. Bonds1

About morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone

morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone (PubChem CID 24814125) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone
PubChem CID24814125
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemorpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone
SMILESO=C(C1=CCCCCO1)N1CCOCC1
InChIInChI=1S/C11H17NO3/c13-11(12-5-8-14-9-6-12)10-4-2-1-3-7-15-10/h4H,1-3,5-9H2
InChIKeyGSBPTXKQGLLGBT-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

Analyze morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone with MolForge

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Related Compounds

azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 71926691
3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone
CID 97094843
(2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone
CID 101440721
1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 71871542
3,4-dihydro-2H-pyran-6-yl-(2,3-dimethylmorpholin-4-yl)methanone
CID 71915918
3,4-dihydro-2H-pyran-6-yl-(3,5-dimethylmorpholin-4-yl)methanone
CID 71925422
3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone
CID 71925558
3,4-dihydro-2H-pyran-6-yl-(3-methylmorpholin-4-yl)methanone
CID 71926676
3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylmorpholin-4-yl)methanone
CID 71926677
3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 71926687
N,N-bis(prop-2-ynyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 95934942
3,4-dihydro-2H-pyran-6-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 112110184

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone?
The IUPAC name of morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone (CID 24814125) is morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone.
What is the SMILES notation for morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone?
The canonical SMILES for morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone is O=C(C1=CCCCCO1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone?
The InChIKey is GSBPTXKQGLLGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-11(12-5-8-14-9-6-12)10-4-2-1-3-7-15-10/h4H,1-3,5-9H2.
What are the key properties of morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone?
morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-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 morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone is sourced from PubChem (CID 24814125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).