8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one

C18H25NO2 — CID 52911982

IUPAC8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one
SMILESCC(C)c1ccc(N2CCC3(CCC(O)CC3)C2=O)cc1
InChIInChI=1S/C18H25NO2/c1-13(2)14-3-5-15(6-4-14)19-12-11-18(17(19)21)9-7-16(20)8-10-18/h3-6,13,16,20H,7-12H2,1-2H3
InChIKeyDHFGRCXUEDGCFJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.47
Rot. Bonds2

About 8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one

8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 52911982) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one
PubChem CID52911982
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one
SMILESCC(C)c1ccc(N2CCC3(CCC(O)CC3)C2=O)cc1
InChIInChI=1S/C18H25NO2/c1-13(2)14-3-5-15(6-4-14)19-12-11-18(17(19)21)9-7-16(20)8-10-18/h3-6,13,16,20H,7-12H2,1-2H3
InChIKeyDHFGRCXUEDGCFJ-UHFFFAOYSA-N
XLogP3.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one (CID 52911982) is 8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one is CC(C)c1ccc(N2CCC3(CCC(O)CC3)C2=O)cc1.
What is the InChIKey of 8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is DHFGRCXUEDGCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(2)14-3-5-15(6-4-14)19-12-11-18(17(19)21)9-7-16(20)8-10-18/h3-6,13,16,20H,7-12H2,1-2H3.
What are the key properties of 8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one?
8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 287.40 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 52911982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).