2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane

C16H22ClNO2 — CID 71372807

IUPAC2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1COC(c2cccc(Cl)c2)OC12CCNCC2
InChIInChI=1S/C16H22ClNO2/c1-2-13-11-19-15(12-4-3-5-14(17)10-12)20-16(13)6-8-18-9-7-16/h3-5,10,13,15,18H,2,6-9,11H2,1H3
InChIKeyVHGOHMONDGCUFF-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.53
Rot. Bonds2

About 2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane

2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane (PubChem CID 71372807) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane
PubChem CID71372807
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1COC(c2cccc(Cl)c2)OC12CCNCC2
InChIInChI=1S/C16H22ClNO2/c1-2-13-11-19-15(12-4-3-5-14(17)10-12)20-16(13)6-8-18-9-7-16/h3-5,10,13,15,18H,2,6-9,11H2,1H3
InChIKeyVHGOHMONDGCUFF-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane (CID 71372807) is 2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane is CCC1COC(c2cccc(Cl)c2)OC12CCNCC2.
What is the InChIKey of 2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is VHGOHMONDGCUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-13-11-19-15(12-4-3-5-14(17)10-12)20-16(13)6-8-18-9-7-16/h3-5,10,13,15,18H,2,6-9,11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane?
2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 295.81 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 71372807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).