spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane]

C9H15NO — CID 134691809

IUPACspiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane]
SMILESC1CC2CC3(COC3)CC1N2
InChIInChI=1S/C9H15NO/c1-2-8-4-9(5-11-6-9)3-7(1)10-8/h7-8,10H,1-6H2
InChIKeyDLRHOQNOTZGKCD-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.92
Rot. Bonds

About spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane]

spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane] (PubChem CID 134691809) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane].

Molecular Properties

Compound Namespiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane]
PubChem CID134691809
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Namespiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane]
SMILESC1CC2CC3(COC3)CC1N2
InChIInChI=1S/C9H15NO/c1-2-8-4-9(5-11-6-9)3-7(1)10-8/h7-8,10H,1-6H2
InChIKeyDLRHOQNOTZGKCD-UHFFFAOYSA-N
XLogP0.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane] with MolForge

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Related Compounds

4-spiro[8-azabicyclo[3.2.1]octane-3,3'-cyclobutane]-1'-ylmorpholine
CID 169144071
2-oxaspiro[3.3]heptan-6-amine
CID 71303896
ethane;6-methyl-2-oxaspiro[3.3]heptane
CID 144747206
3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane
CID 112564611
6-methoxy-2-oxaspiro[3.3]heptane
CID 90127740
ethane;N-methyl-2-oxaspiro[3.3]heptan-6-amine
CID 156879805
3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68756269
(1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one
CID 129499691
31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane
CID 90736283
3-ethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 45083126
3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564625
3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 112564732

Frequently Asked Questions

What is the IUPAC name of spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane]?
The IUPAC name of spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane] (CID 134691809) is spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane].
What is the SMILES notation for spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane]?
The canonical SMILES for spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane] is C1CC2CC3(COC3)CC1N2.
What is the InChIKey of spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane]?
The InChIKey is DLRHOQNOTZGKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-8-4-9(5-11-6-9)3-7(1)10-8/h7-8,10H,1-6H2.
What are the key properties of spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane]?
spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane] has a molecular weight of 153.22 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[8-azabicyclo[3.2.1]octane-3,3'-oxetane] is sourced from PubChem (CID 134691809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).