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

C17H23NO — CID 66109358

IUPAC1,1-dimethyl-8-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCC1(C)NC(=O)CC12CCC(c1ccccc1)CC2
InChIInChI=1S/C17H23NO/c1-16(2)17(12-15(19)18-16)10-8-14(9-11-17)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,18,19)
InChIKeyBIOKEVFLBPMWHS-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.63
Rot. Bonds1

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

1,1-dimethyl-8-phenyl-2-azaspiro[4.5]decan-3-one (PubChem CID 66109358) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1,1-dimethyl-8-phenyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1,1-dimethyl-8-phenyl-2-azaspiro[4.5]decan-3-one
PubChem CID66109358
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1,1-dimethyl-8-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCC1(C)NC(=O)CC12CCC(c1ccccc1)CC2
InChIInChI=1S/C17H23NO/c1-16(2)17(12-15(19)18-16)10-8-14(9-11-17)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,18,19)
InChIKeyBIOKEVFLBPMWHS-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-8-phenyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 1,1-dimethyl-8-phenyl-2-azaspiro[4.5]decan-3-one (CID 66109358) is 1,1-dimethyl-8-phenyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 1,1-dimethyl-8-phenyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 1,1-dimethyl-8-phenyl-2-azaspiro[4.5]decan-3-one is CC1(C)NC(=O)CC12CCC(c1ccccc1)CC2.
What is the InChIKey of 1,1-dimethyl-8-phenyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is BIOKEVFLBPMWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-16(2)17(12-15(19)18-16)10-8-14(9-11-17)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,18,19).
What are the key properties of 1,1-dimethyl-8-phenyl-2-azaspiro[4.5]decan-3-one?
1,1-dimethyl-8-phenyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 257.38 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-8-phenyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 66109358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).