8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane

C15H19NO3 — CID 55082335

IUPAC8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane
SMILESc1cc2c(cc1C1CNC3(CCCC3)CO1)OCO2
InChIInChI=1S/C15H19NO3/c1-2-6-15(5-1)9-17-14(8-16-15)11-3-4-12-13(7-11)19-10-18-12/h3-4,7,14,16H,1-2,5-6,8-10H2
InChIKeyWGMUTLBALDJOLA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.39
Rot. Bonds1

About 8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane

8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane (PubChem CID 55082335) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane
PubChem CID55082335
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane
SMILESc1cc2c(cc1C1CNC3(CCCC3)CO1)OCO2
InChIInChI=1S/C15H19NO3/c1-2-6-15(5-1)9-17-14(8-16-15)11-3-4-12-13(7-11)19-10-18-12/h3-4,7,14,16H,1-2,5-6,8-10H2
InChIKeyWGMUTLBALDJOLA-UHFFFAOYSA-N
XLogP2.39
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxa-1-azaspiro[5.5]undecane
CID 62521799
8-(3,4-dimethoxyphenyl)-9-oxa-6-azaspiro[4.5]decane
CID 62517905
5-(oxolan-2-yl)-1,3-benzodioxole
CID 10035471
4-(1,3-benzodioxol-5-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64931054
3-(1,3-benzodioxol-5-yl)piperidine
CID 66727486
5-[(3R,6R)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
CID 101066122
2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine
CID 71380359
3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 57131096
2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine
CID 117407511
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
CID 43174749
(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 66519216
2-(1,3-benzodioxol-5-yl)piperazine
CID 2771771

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane?
The IUPAC name of 8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane (CID 55082335) is 8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane.
What is the SMILES notation for 8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane?
The canonical SMILES for 8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane is c1cc2c(cc1C1CNC3(CCCC3)CO1)OCO2.
What is the InChIKey of 8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane?
The InChIKey is WGMUTLBALDJOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-6-15(5-1)9-17-14(8-16-15)11-3-4-12-13(7-11)19-10-18-12/h3-4,7,14,16H,1-2,5-6,8-10H2.
What are the key properties of 8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane?
8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane has a molecular weight of 261.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-benzodioxol-5-yl)-9-oxa-6-azaspiro[4.5]decane is sourced from PubChem (CID 55082335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).