8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one

C18H25NO2 — CID 123999552

IUPAC8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one
SMILESCCCC1(O)CCC2(CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C18H25NO2/c1-2-8-18(21)11-9-17(10-12-18)13-14-19(16(17)20)15-6-4-3-5-7-15/h3-7,21H,2,8-14H2,1H3
InChIKeyNSCCOALLAITSNR-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.51
Rot. Bonds3

About 8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one

8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one (PubChem CID 123999552) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one
PubChem CID123999552
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one
SMILESCCCC1(O)CCC2(CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C18H25NO2/c1-2-8-18(21)11-9-17(10-12-18)13-14-19(16(17)20)15-6-4-3-5-7-15/h3-7,21H,2,8-14H2,1H3
InChIKeyNSCCOALLAITSNR-UHFFFAOYSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one (CID 123999552) is 8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one is CCCC1(O)CCC2(CCN(c3ccccc3)C2=O)CC1.
What is the InChIKey of 8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one?
The InChIKey is NSCCOALLAITSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-8-18(21)11-9-17(10-12-18)13-14-19(16(17)20)15-6-4-3-5-7-15/h3-7,21H,2,8-14H2,1H3.
What are the key properties of 8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one?
8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one has a molecular weight of 287.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 123999552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).