3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane

C17H24ClNO — CID 62527338

IUPAC3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane
SMILESCC1CCC2(CC1)COC(c1cccc(Cl)c1)C(C)N2
InChIInChI=1S/C17H24ClNO/c1-12-6-8-17(9-7-12)11-20-16(13(2)19-17)14-4-3-5-15(18)10-14/h3-5,10,12-13,16,19H,6-9,11H2,1-2H3
InChIKeyJVGDRHPTHDLDDJ-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.34
Rot. Bonds1

About 3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane

3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane (PubChem CID 62527338) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane
PubChem CID62527338
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane
SMILESCC1CCC2(CC1)COC(c1cccc(Cl)c1)C(C)N2
InChIInChI=1S/C17H24ClNO/c1-12-6-8-17(9-7-12)11-20-16(13(2)19-17)14-4-3-5-15(18)10-14/h3-5,10,12-13,16,19H,6-9,11H2,1-2H3
InChIKeyJVGDRHPTHDLDDJ-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of 3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane (CID 62527338) is 3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for 3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane is CC1CCC2(CC1)COC(c1cccc(Cl)c1)C(C)N2.
What is the InChIKey of 3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane?
The InChIKey is JVGDRHPTHDLDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-12-6-8-17(9-7-12)11-20-16(13(2)19-17)14-4-3-5-15(18)10-14/h3-5,10,12-13,16,19H,6-9,11H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane?
3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane has a molecular weight of 293.84 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 62527338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).