9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane

C17H24ClNO — CID 103968911

IUPAC9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane
SMILESCC1NCC2(CCCCC2)COC1c1cccc(Cl)c1
InChIInChI=1S/C17H24ClNO/c1-13-16(14-6-5-7-15(18)10-14)20-12-17(11-19-13)8-3-2-4-9-17/h5-7,10,13,16,19H,2-4,8-9,11-12H2,1H3
InChIKeyTYWDXWOQIRUQKF-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.34
Rot. Bonds1

About 9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane

9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane (PubChem CID 103968911) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane
PubChem CID103968911
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane
SMILESCC1NCC2(CCCCC2)COC1c1cccc(Cl)c1
InChIInChI=1S/C17H24ClNO/c1-13-16(14-6-5-7-15(18)10-14)20-12-17(11-19-13)8-3-2-4-9-17/h5-7,10,13,16,19H,2-4,8-9,11-12H2,1H3
InChIKeyTYWDXWOQIRUQKF-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 9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane?
The IUPAC name of 9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane (CID 103968911) is 9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane.
What is the SMILES notation for 9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane?
The canonical SMILES for 9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane is CC1NCC2(CCCCC2)COC1c1cccc(Cl)c1.
What is the InChIKey of 9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane?
The InChIKey is TYWDXWOQIRUQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-13-16(14-6-5-7-15(18)10-14)20-12-17(11-19-13)8-3-2-4-9-17/h5-7,10,13,16,19H,2-4,8-9,11-12H2,1H3.
What are the key properties of 9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane?
9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane 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 9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane is sourced from PubChem (CID 103968911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).