(2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane

C16H23NO — CID 134952095

IUPAC(2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane
SMILESC[C@H]1COCC2(CCC(c3ccccc3)CC2)N1
InChIInChI=1S/C16H23NO/c1-13-11-18-12-16(17-13)9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3/t13-,15?,16?/m0/s1
InChIKeyVJSLWNZWYMBZHN-JEYLPNPQSA-N
MW245.37 g/mol
LogP3.09
Rot. Bonds1

About (2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane

(2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane (PubChem CID 134952095) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane
PubChem CID134952095
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane
SMILESC[C@H]1COCC2(CCC(c3ccccc3)CC2)N1
InChIInChI=1S/C16H23NO/c1-13-11-18-12-16(17-13)9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3/t13-,15?,16?/m0/s1
InChIKeyVJSLWNZWYMBZHN-JEYLPNPQSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane?
The IUPAC name of (2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane (CID 134952095) is (2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane.
What is the SMILES notation for (2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane?
The canonical SMILES for (2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane is C[C@H]1COCC2(CCC(c3ccccc3)CC2)N1.
What is the InChIKey of (2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane?
The InChIKey is VJSLWNZWYMBZHN-JEYLPNPQSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-11-18-12-16(17-13)9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3/t13-,15?,16?/m0/s1.
What are the key properties of (2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane?
(2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane has a molecular weight of 245.37 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane is sourced from PubChem (CID 134952095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).