2,5-dioxa-8-azaspiro[3.5]nonane;ethane

C8H17NO2 — CID 142444795

IUPAC2,5-dioxa-8-azaspiro[3.5]nonane;ethane
SMILESC1COC2(CN1)COC2.CC
InChIInChI=1S/C6H11NO2.C2H6/c1-2-9-6(3-7-1)4-8-5-6;1-2/h7H,1-5H2;1-2H3
InChIKeyVXHNGLSLORWBJV-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.40
Rot. Bonds

About 2,5-dioxa-8-azaspiro[3.5]nonane;ethane

2,5-dioxa-8-azaspiro[3.5]nonane;ethane (PubChem CID 142444795) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2,5-dioxa-8-azaspiro[3.5]nonane;ethane.

Molecular Properties

Compound Name2,5-dioxa-8-azaspiro[3.5]nonane;ethane
PubChem CID142444795
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2,5-dioxa-8-azaspiro[3.5]nonane;ethane
SMILESC1COC2(CN1)COC2.CC
InChIInChI=1S/C6H11NO2.C2H6/c1-2-9-6(3-7-1)4-8-5-6;1-2/h7H,1-5H2;1-2H3
InChIKeyVXHNGLSLORWBJV-UHFFFAOYSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122347
1,10-dioxa-7-azaspiro[4.6]undecane
CID 118210191
6-oxa-2,9-diazaspiro[4.5]decane
CID 23135352
9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane
CID 138991470
1-oxa-4,8-diazaspiro[5.5]undecane
CID 66799065
5-oxa-2-thia-8-azaspiro[3.5]nonane
CID 83479262
1,10-dioxa-4-azaspiro[5.6]dodecane
CID 65122138
N-(5-oxa-8-azaspiro[3.5]nonan-2-ylidene)hydroxylamine
CID 155131224
8,10,10-trimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65122711
1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one
CID 97494594
(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97398278
6,9-dioxa-2-azaspiro[4.6]undecane
CID 118210694

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxa-8-azaspiro[3.5]nonane;ethane?
The IUPAC name of 2,5-dioxa-8-azaspiro[3.5]nonane;ethane (CID 142444795) is 2,5-dioxa-8-azaspiro[3.5]nonane;ethane.
What is the SMILES notation for 2,5-dioxa-8-azaspiro[3.5]nonane;ethane?
The canonical SMILES for 2,5-dioxa-8-azaspiro[3.5]nonane;ethane is C1COC2(CN1)COC2.CC.
What is the InChIKey of 2,5-dioxa-8-azaspiro[3.5]nonane;ethane?
The InChIKey is VXHNGLSLORWBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H6/c1-2-9-6(3-7-1)4-8-5-6;1-2/h7H,1-5H2;1-2H3.
What are the key properties of 2,5-dioxa-8-azaspiro[3.5]nonane;ethane?
2,5-dioxa-8-azaspiro[3.5]nonane;ethane has a molecular weight of 159.23 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxa-8-azaspiro[3.5]nonane;ethane is sourced from PubChem (CID 142444795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).