1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one

C20H27NO2 — CID 10470842

IUPAC1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one
SMILESO=C1N(C2CCCCC2)C2(CCCCC2)C1(O)c1ccccc1
InChIInChI=1S/C20H27NO2/c22-18-20(23,16-10-4-1-5-11-16)19(14-8-3-9-15-19)21(18)17-12-6-2-7-13-17/h1,4-5,10-11,17,23H,2-3,6-9,12-15H2
InChIKeyVFZYHLZFJFLZSU-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.75
Rot. Bonds2

About 1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one

1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one (PubChem CID 10470842) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one
PubChem CID10470842
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one
SMILESO=C1N(C2CCCCC2)C2(CCCCC2)C1(O)c1ccccc1
InChIInChI=1S/C20H27NO2/c22-18-20(23,16-10-4-1-5-11-16)19(14-8-3-9-15-19)21(18)17-12-6-2-7-13-17/h1,4-5,10-11,17,23H,2-3,6-9,12-15H2
InChIKeyVFZYHLZFJFLZSU-UHFFFAOYSA-N
XLogP3.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one (CID 10470842) is 1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one is O=C1N(C2CCCCC2)C2(CCCCC2)C1(O)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one?
The InChIKey is VFZYHLZFJFLZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c22-18-20(23,16-10-4-1-5-11-16)19(14-8-3-9-15-19)21(18)17-12-6-2-7-13-17/h1,4-5,10-11,17,23H,2-3,6-9,12-15H2.
What are the key properties of 1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one?
1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one has a molecular weight of 313.44 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 10470842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).