1,10-dioxa-4-azaspiro[5.6]dodecane

C9H17NO2 — CID 65122138

IUPAC1,10-dioxa-4-azaspiro[5.6]dodecane
SMILESC1COCCC2(C1)CNCCO2
InChIInChI=1S/C9H17NO2/c1-2-9(3-6-11-5-1)8-10-4-7-12-9/h10H,1-8H2
InChIKeyHXAKFVMSAYMIDC-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.55
Rot. Bonds

About 1,10-dioxa-4-azaspiro[5.6]dodecane

1,10-dioxa-4-azaspiro[5.6]dodecane (PubChem CID 65122138) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1,10-dioxa-4-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name1,10-dioxa-4-azaspiro[5.6]dodecane
PubChem CID65122138
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1,10-dioxa-4-azaspiro[5.6]dodecane
SMILESC1COCCC2(C1)CNCCO2
InChIInChI=1S/C9H17NO2/c1-2-9(3-6-11-5-1)8-10-4-7-12-9/h10H,1-8H2
InChIKeyHXAKFVMSAYMIDC-UHFFFAOYSA-N
XLogP0.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122347
6,9-dioxa-2-azaspiro[4.6]undecane
CID 118210694
1-oxa-4,8-diazaspiro[5.5]undecane
CID 66799065
1,10-dioxa-7-azaspiro[4.6]undecane
CID 118210191
1-oxa-9-azaspiro[3.6]decane
CID 118209885
(6S)-1-oxa-8-azaspiro[5.5]undecane
CID 98010276
6-oxa-2,9-diazaspiro[4.5]decane
CID 23135352
9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane
CID 138991470
9-ethyl-1-oxa-4-azaspiro[5.6]dodecane
CID 65122613
2,5-dioxa-8-azaspiro[3.5]nonane;ethane
CID 142444795
5-oxa-2-thia-8-azaspiro[3.5]nonane
CID 83479262
2-methyl-2-propan-2-yl-1,10-dioxa-4-azaspiro[5.6]dodecane
CID 114497562

Frequently Asked Questions

What is the IUPAC name of 1,10-dioxa-4-azaspiro[5.6]dodecane?
The IUPAC name of 1,10-dioxa-4-azaspiro[5.6]dodecane (CID 65122138) is 1,10-dioxa-4-azaspiro[5.6]dodecane.
What is the SMILES notation for 1,10-dioxa-4-azaspiro[5.6]dodecane?
The canonical SMILES for 1,10-dioxa-4-azaspiro[5.6]dodecane is C1COCCC2(C1)CNCCO2.
What is the InChIKey of 1,10-dioxa-4-azaspiro[5.6]dodecane?
The InChIKey is HXAKFVMSAYMIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-9(3-6-11-5-1)8-10-4-7-12-9/h10H,1-8H2.
What are the key properties of 1,10-dioxa-4-azaspiro[5.6]dodecane?
1,10-dioxa-4-azaspiro[5.6]dodecane has a molecular weight of 171.24 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dioxa-4-azaspiro[5.6]dodecane is sourced from PubChem (CID 65122138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).