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

C11H17NO3 — CID 97094843

IUPAC3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone
SMILESC[C@H]1COCCN1C(=O)C1=CCCCO1
InChIInChI=1S/C11H17NO3/c1-9-8-14-7-5-12(9)11(13)10-4-2-3-6-15-10/h4,9H,2-3,5-8H2,1H3/t9-/m0/s1
InChIKeyAMWZMXSYTCXMCC-VIFPVBQESA-N
MW211.26 g/mol
LogP0.93
Rot. Bonds1

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

3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone (PubChem CID 97094843) 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-[(3S)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone
PubChem CID97094843
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone
SMILESC[C@H]1COCCN1C(=O)C1=CCCCO1
InChIInChI=1S/C11H17NO3/c1-9-8-14-7-5-12(9)11(13)10-4-2-3-6-15-10/h4,9H,2-3,5-8H2,1H3/t9-/m0/s1
InChIKeyAMWZMXSYTCXMCC-VIFPVBQESA-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-[(3S)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone (CID 97094843) is 3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone is C[C@H]1COCCN1C(=O)C1=CCCCO1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone?
The InChIKey is AMWZMXSYTCXMCC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17NO3/c1-9-8-14-7-5-12(9)11(13)10-4-2-3-6-15-10/h4,9H,2-3,5-8H2,1H3/t9-/m0/s1.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone?
3,4-dihydro-2H-pyran-6-yl-[(3S)-3-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-[(3S)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 97094843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).