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

C17H23NO — CID 79852616

IUPAC6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCC1(C)CCCCC12CC(=O)NC2c1ccccc1
InChIInChI=1S/C17H23NO/c1-16(2)10-6-7-11-17(16)12-14(19)18-15(17)13-8-4-3-5-9-13/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,18,19)
InChIKeyHLEHGCAOAWTVSG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.83
Rot. Bonds1

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

6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one (PubChem CID 79852616) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
PubChem CID79852616
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCC1(C)CCCCC12CC(=O)NC2c1ccccc1
InChIInChI=1S/C17H23NO/c1-16(2)10-6-7-11-17(16)12-14(19)18-15(17)13-8-4-3-5-9-13/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,18,19)
InChIKeyHLEHGCAOAWTVSG-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one (CID 79852616) is 6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one is CC1(C)CCCCC12CC(=O)NC2c1ccccc1.
What is the InChIKey of 6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is HLEHGCAOAWTVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-16(2)10-6-7-11-17(16)12-14(19)18-15(17)13-8-4-3-5-9-13/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,18,19).
What are the key properties of 6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one?
6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 257.38 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 79852616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).