7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane

C12H15NO2 — CID 155888873

IUPAC7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane
SMILESc1ccc(CC2COC3(COC3)N2)cc1
InChIInChI=1S/C12H15NO2/c1-2-4-10(5-3-1)6-11-7-15-12(13-11)8-14-9-12/h1-5,11,13H,6-9H2
InChIKeyULISANSRFYERCR-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.94
Rot. Bonds2

About 7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane

7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane (PubChem CID 155888873) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane
PubChem CID155888873
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane
SMILESc1ccc(CC2COC3(COC3)N2)cc1
InChIInChI=1S/C12H15NO2/c1-2-4-10(5-3-1)6-11-7-15-12(13-11)8-14-9-12/h1-5,11,13H,6-9H2
InChIKeyULISANSRFYERCR-UHFFFAOYSA-N
XLogP0.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57458781
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4-benzyl-1,3-oxazolidine
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(2S)-2-benzyl-9-tert-butyl-4-oxa-1-azaspiro[5.5]undecane
CID 22689173
4-benzyl-2-methyl-1,3-oxazolidine
CID 82280019
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CID 97102714
3-benzyl-5-(difluoromethyl)morpholine
CID 137409064
(3S,6Z)-3-benzyl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione
CID 102189345
lithium (4S)-4-benzyl-1,3-oxazolidin-2-one
CID 21353540
(3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine
CID 11195468
4-[[(2R,5R)-5-benzylpiperazin-2-yl]methyl]phenol
CID 171358745
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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane?
The IUPAC name of 7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane (CID 155888873) is 7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane.
What is the SMILES notation for 7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane?
The canonical SMILES for 7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane is c1ccc(CC2COC3(COC3)N2)cc1.
What is the InChIKey of 7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane?
The InChIKey is ULISANSRFYERCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-4-10(5-3-1)6-11-7-15-12(13-11)8-14-9-12/h1-5,11,13H,6-9H2.
What are the key properties of 7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane?
7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane has a molecular weight of 205.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane is sourced from PubChem (CID 155888873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).