1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone

C13H21NO4 — CID 112530550

IUPAC1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone
SMILESO=C(C1CCC2(CC1)OCCO2)N1CCOCC1
InChIInChI=1S/C13H21NO4/c15-12(14-5-7-16-8-6-14)11-1-3-13(4-2-11)17-9-10-18-13/h11H,1-10H2
InChIKeyXGOZTQRQQQVLPA-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.78
Rot. Bonds1

About 1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone

1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone (PubChem CID 112530550) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone
PubChem CID112530550
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone
SMILESO=C(C1CCC2(CC1)OCCO2)N1CCOCC1
InChIInChI=1S/C13H21NO4/c15-12(14-5-7-16-8-6-14)11-1-3-13(4-2-11)17-9-10-18-13/h11H,1-10H2
InChIKeyXGOZTQRQQQVLPA-UHFFFAOYSA-N
XLogP0.78
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone?
The IUPAC name of 1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone (CID 112530550) is 1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone?
The canonical SMILES for 1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone is O=C(C1CCC2(CC1)OCCO2)N1CCOCC1.
What is the InChIKey of 1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone?
The InChIKey is XGOZTQRQQQVLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-12(14-5-7-16-8-6-14)11-1-3-13(4-2-11)17-9-10-18-13/h11H,1-10H2.
What are the key properties of 1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone?
1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone has a molecular weight of 255.31 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]decan-8-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 112530550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).