6-benzyl-1-oxa-6-azaspiro[2.3]hexane

C11H13NO — CID 56995453

IUPAC6-benzyl-1-oxa-6-azaspiro[2.3]hexane
SMILESc1ccc(CN2CCC23CO3)cc1
InChIInChI=1S/C11H13NO/c1-2-4-10(5-3-1)8-12-7-6-11(12)9-13-11/h1-5H,6-9H2
InChIKeyHVMJOFQRGIDMTB-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.62
Rot. Bonds2

About 6-benzyl-1-oxa-6-azaspiro[2.3]hexane

6-benzyl-1-oxa-6-azaspiro[2.3]hexane (PubChem CID 56995453) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-benzyl-1-oxa-6-azaspiro[2.3]hexane.

Molecular Properties

Compound Name6-benzyl-1-oxa-6-azaspiro[2.3]hexane
PubChem CID56995453
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name6-benzyl-1-oxa-6-azaspiro[2.3]hexane
SMILESc1ccc(CN2CCC23CO3)cc1
InChIInChI=1S/C11H13NO/c1-2-4-10(5-3-1)8-12-7-6-11(12)9-13-11/h1-5H,6-9H2
InChIKeyHVMJOFQRGIDMTB-UHFFFAOYSA-N
XLogP1.62
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
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1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
1-benzyl-1,7-diazaspiro[3.4]octane
CID 71302050
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
(4R)-1-benzyl-1,7-diazaspiro[3.4]octane
CID 97114338
(2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine
CID 101229912
1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol
CID 19704375
9-benzyl-9-azadispiro[2.2.26.23]decane
CID 163932559
5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid
CID 137480761
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-oxa-6-azaspiro[2.3]hexane?
The IUPAC name of 6-benzyl-1-oxa-6-azaspiro[2.3]hexane (CID 56995453) is 6-benzyl-1-oxa-6-azaspiro[2.3]hexane.
What is the SMILES notation for 6-benzyl-1-oxa-6-azaspiro[2.3]hexane?
The canonical SMILES for 6-benzyl-1-oxa-6-azaspiro[2.3]hexane is c1ccc(CN2CCC23CO3)cc1.
What is the InChIKey of 6-benzyl-1-oxa-6-azaspiro[2.3]hexane?
The InChIKey is HVMJOFQRGIDMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-4-10(5-3-1)8-12-7-6-11(12)9-13-11/h1-5H,6-9H2.
What are the key properties of 6-benzyl-1-oxa-6-azaspiro[2.3]hexane?
6-benzyl-1-oxa-6-azaspiro[2.3]hexane has a molecular weight of 175.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-oxa-6-azaspiro[2.3]hexane is sourced from PubChem (CID 56995453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).