3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C11H20N2O3 — CID 105485616

IUPAC3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CCCC2(C1)CN(CCCO)C(=O)O2
InChIInChI=1S/C11H20N2O3/c1-12-5-2-4-11(8-12)9-13(6-3-7-14)10(15)16-11/h14H,2-9H2,1H3
InChIKeyDOUOUXMRJVYABG-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.29
Rot. Bonds3

About 3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 105485616) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID105485616
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CCCC2(C1)CN(CCCO)C(=O)O2
InChIInChI=1S/C11H20N2O3/c1-12-5-2-4-11(8-12)9-13(6-3-7-14)10(15)16-11/h14H,2-9H2,1H3
InChIKeyDOUOUXMRJVYABG-UHFFFAOYSA-N
XLogP0.29
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[cyclohexyl(methyl)amino]propyl]-8-(3-hydroxypropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70769551
3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740474
3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one
CID 105471489
2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 105485391
2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one
CID 118974319
8-[2-(azepan-1-yl)acetyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70744928
3-(3-aminopropyl)-1-oxa-8-thia-3-azaspiro[4.5]decan-2-one
CID 105488547
(4R)-8-methyl-1-oxa-8-azaspiro[3.5]nonane
CID 167468548
8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70749314
3-(2-ethylbutyl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70725296
(4R)-6-methyl-6-azaspiro[3.5]nonan-3-one
CID 129450959
8-cyclohexyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70748725

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 105485616) is 3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN1CCCC2(C1)CN(CCCO)C(=O)O2.
What is the InChIKey of 3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is DOUOUXMRJVYABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-12-5-2-4-11(8-12)9-13(6-3-7-14)10(15)16-11/h14H,2-9H2,1H3.
What are the key properties of 3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 228.29 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 105485616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).