1-oxa-9-azaspiro[3.7]undecane

C9H17NO — CID 118210357

IUPAC1-oxa-9-azaspiro[3.7]undecane
SMILESC1CCC2(CCNC1)CCO2
InChIInChI=1S/C9H17NO/c1-2-6-10-7-4-9(3-1)5-8-11-9/h10H,1-8H2
InChIKeyAETWLLWSQWDTMS-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds

About 1-oxa-9-azaspiro[3.7]undecane

1-oxa-9-azaspiro[3.7]undecane (PubChem CID 118210357) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-oxa-9-azaspiro[3.7]undecane.

Molecular Properties

Compound Name1-oxa-9-azaspiro[3.7]undecane
PubChem CID118210357
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-oxa-9-azaspiro[3.7]undecane
SMILESC1CCC2(CCNC1)CCO2
InChIInChI=1S/C9H17NO/c1-2-6-10-7-4-9(3-1)5-8-11-9/h10H,1-8H2
InChIKeyAETWLLWSQWDTMS-UHFFFAOYSA-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
7-oxa-3,10-diazaspiro[5.6]dodecane
CID 141353214
1-oxa-4,8-diazaspiro[5.5]undecane
CID 66799065
(6S)-1-oxa-8-azaspiro[5.5]undecane
CID 98010276
6-oxa-2,9-diazaspiro[4.5]decane
CID 23135352
1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 22507707
1,2-dioxa-9-azaspiro[5.5]undecane
CID 87835110
methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane
CID 171551994
6,9-dioxa-2-azaspiro[4.6]undecane
CID 118210694
1,10-dioxa-7-azaspiro[4.6]undecane
CID 118210191
1,10-dioxa-4-azaspiro[5.6]dodecane
CID 65122138
1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 56760832

Frequently Asked Questions

What is the IUPAC name of 1-oxa-9-azaspiro[3.7]undecane?
The IUPAC name of 1-oxa-9-azaspiro[3.7]undecane (CID 118210357) is 1-oxa-9-azaspiro[3.7]undecane.
What is the SMILES notation for 1-oxa-9-azaspiro[3.7]undecane?
The canonical SMILES for 1-oxa-9-azaspiro[3.7]undecane is C1CCC2(CCNC1)CCO2.
What is the InChIKey of 1-oxa-9-azaspiro[3.7]undecane?
The InChIKey is AETWLLWSQWDTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-6-10-7-4-9(3-1)5-8-11-9/h10H,1-8H2.
What are the key properties of 1-oxa-9-azaspiro[3.7]undecane?
1-oxa-9-azaspiro[3.7]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 1-oxa-9-azaspiro[3.7]undecane is sourced from PubChem (CID 118210357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).