1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane

C13H17NO2 — CID 70380943

IUPAC1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane
SMILESc1ccc(CN2CCC23COCCO3)cc1
InChIInChI=1S/C13H17NO2/c1-2-4-12(5-3-1)10-14-7-6-13(14)11-15-8-9-16-13/h1-5H,6-11H2
InChIKeyCWMCZGCTTOVVSM-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.64
Rot. Bonds2

About 1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane

1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane (PubChem CID 70380943) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane.

Molecular Properties

Compound Name1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane
PubChem CID70380943
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane
SMILESc1ccc(CN2CCC23COCCO3)cc1
InChIInChI=1S/C13H17NO2/c1-2-4-12(5-3-1)10-14-7-6-13(14)11-15-8-9-16-13/h1-5H,6-11H2
InChIKeyCWMCZGCTTOVVSM-UHFFFAOYSA-N
XLogP1.64
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane?
The IUPAC name of 1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane (CID 70380943) is 1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane.
What is the SMILES notation for 1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane?
The canonical SMILES for 1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane is c1ccc(CN2CCC23COCCO3)cc1.
What is the InChIKey of 1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane?
The InChIKey is CWMCZGCTTOVVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-4-12(5-3-1)10-14-7-6-13(14)11-15-8-9-16-13/h1-5H,6-11H2.
What are the key properties of 1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane?
1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane has a molecular weight of 219.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane is sourced from PubChem (CID 70380943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).