6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one

C18H25NO — CID 81315265

IUPAC6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCC1CC(C)(C)CCC12CC(=O)NC2c1ccccc1
InChIInChI=1S/C18H25NO/c1-13-11-17(2,3)9-10-18(13)12-15(20)19-16(18)14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3,(H,19,20)
InChIKeyWHUREBLKNXLKGB-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.08
Rot. Bonds1

About 6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one

6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one (PubChem CID 81315265) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
PubChem CID81315265
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCC1CC(C)(C)CCC12CC(=O)NC2c1ccccc1
InChIInChI=1S/C18H25NO/c1-13-11-17(2,3)9-10-18(13)12-15(20)19-16(18)14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3,(H,19,20)
InChIKeyWHUREBLKNXLKGB-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one (CID 81315265) is 6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one is CC1CC(C)(C)CCC12CC(=O)NC2c1ccccc1.
What is the InChIKey of 6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is WHUREBLKNXLKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13-11-17(2,3)9-10-18(13)12-15(20)19-16(18)14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3,(H,19,20).
What are the key properties of 6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one?
6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 271.40 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 81315265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).