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

C12H19NO3 — CID 71926687

IUPAC3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2=CCCCO2)CC(C)O1
InChIInChI=1S/C12H19NO3/c1-9-7-13(8-10(2)16-9)12(14)11-5-3-4-6-15-11/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyZZAJGVKTNHJCPG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.32
Rot. Bonds1

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

3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 71926687) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID71926687
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2=CCCCO2)CC(C)O1
InChIInChI=1S/C12H19NO3/c1-9-7-13(8-10(2)16-9)12(14)11-5-3-4-6-15-11/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyZZAJGVKTNHJCPG-UHFFFAOYSA-N
XLogP1.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.32
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-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone (CID 71926687) is 3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)C2=CCCCO2)CC(C)O1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is ZZAJGVKTNHJCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-7-13(8-10(2)16-9)12(14)11-5-3-4-6-15-11/h5,9-10H,3-4,6-8H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 225.29 g/mol, XLogP of 1.32, 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-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 71926687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).