(6S)-1-oxa-8-azaspiro[5.5]undecane

C9H17NO — CID 98010276

IUPAC(6S)-1-oxa-8-azaspiro[5.5]undecane
SMILESC1CC[C@@]2(CCCNC2)OC1
InChIInChI=1S/C9H17NO/c1-2-7-11-9(4-1)5-3-6-10-8-9/h10H,1-8H2/t9-/m0/s1
InChIKeyQHPMPGYFWNHQKR-VIFPVBQESA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds

About (6S)-1-oxa-8-azaspiro[5.5]undecane

(6S)-1-oxa-8-azaspiro[5.5]undecane (PubChem CID 98010276) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (6S)-1-oxa-8-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(6S)-1-oxa-8-azaspiro[5.5]undecane
PubChem CID98010276
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(6S)-1-oxa-8-azaspiro[5.5]undecane
SMILESC1CC[C@@]2(CCCNC2)OC1
InChIInChI=1S/C9H17NO/c1-2-7-11-9(4-1)5-3-6-10-8-9/h10H,1-8H2/t9-/m0/s1
InChIKeyQHPMPGYFWNHQKR-VIFPVBQESA-N
XLogP1.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-oxa-9-azaspiro[3.6]decane
CID 118209885
1-oxa-4,8-diazaspiro[5.5]undecane
CID 66799065
1,10-dioxa-7-azaspiro[4.6]undecane
CID 118210191
1,10-dioxa-4-azaspiro[5.6]dodecane
CID 65122138
1-oxa-9-azaspiro[3.7]undecane
CID 118210357
1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122347
(6S)-4-cyclohexyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372335
6-oxa-2,9-diazaspiro[4.5]decane
CID 23135352
4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 130315957
6,9-dioxa-2-azaspiro[4.6]undecane
CID 118210694
9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane
CID 138991470
1-oxa-3,8-diazaspiro[5.5]undecane-3-carbaldehyde
CID 123683284

Frequently Asked Questions

What is the IUPAC name of (6S)-1-oxa-8-azaspiro[5.5]undecane?
The IUPAC name of (6S)-1-oxa-8-azaspiro[5.5]undecane (CID 98010276) is (6S)-1-oxa-8-azaspiro[5.5]undecane.
What is the SMILES notation for (6S)-1-oxa-8-azaspiro[5.5]undecane?
The canonical SMILES for (6S)-1-oxa-8-azaspiro[5.5]undecane is C1CC[C@@]2(CCCNC2)OC1.
What is the InChIKey of (6S)-1-oxa-8-azaspiro[5.5]undecane?
The InChIKey is QHPMPGYFWNHQKR-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO/c1-2-7-11-9(4-1)5-3-6-10-8-9/h10H,1-8H2/t9-/m0/s1.
What are the key properties of (6S)-1-oxa-8-azaspiro[5.5]undecane?
(6S)-1-oxa-8-azaspiro[5.5]undecane has a molecular weight of 155.24 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-oxa-8-azaspiro[5.5]undecane is sourced from PubChem (CID 98010276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).