4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one

C12H19NO4 — CID 58597119

IUPAC4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one
SMILESO=C1COCCN1C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H19NO4/c14-11-9-15-6-5-13(11)10-1-3-12(4-2-10)16-7-8-17-12/h10H,1-9H2
InChIKeyWUBFWZSPJJXOPY-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.53
Rot. Bonds1

About 4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one

4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one (PubChem CID 58597119) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one
PubChem CID58597119
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one
SMILESO=C1COCCN1C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H19NO4/c14-11-9-15-6-5-13(11)10-1-3-12(4-2-10)16-7-8-17-12/h10H,1-9H2
InChIKeyWUBFWZSPJJXOPY-UHFFFAOYSA-N
XLogP0.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one?
The IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one (CID 58597119) is 4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one?
The canonical SMILES for 4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one is O=C1COCCN1C1CCC2(CC1)OCCO2.
What is the InChIKey of 4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one?
The InChIKey is WUBFWZSPJJXOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11-9-15-6-5-13(11)10-1-3-12(4-2-10)16-7-8-17-12/h10H,1-9H2.
What are the key properties of 4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one?
4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one has a molecular weight of 241.29 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-3-one is sourced from PubChem (CID 58597119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).