1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one

C18H25NO — CID 66105478

IUPAC1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one
SMILESCCC1CCCCC12CC(=O)NC2Cc1ccccc1
InChIInChI=1S/C18H25NO/c1-2-15-10-6-7-11-18(15)13-17(20)19-16(18)12-14-8-4-3-5-9-14/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3,(H,19,20)
InChIKeySBZYICWBHWIELW-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.70
Rot. Bonds3

About 1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one

1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one (PubChem CID 66105478) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one
PubChem CID66105478
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one
SMILESCCC1CCCCC12CC(=O)NC2Cc1ccccc1
InChIInChI=1S/C18H25NO/c1-2-15-10-6-7-11-18(15)13-17(20)19-16(18)12-14-8-4-3-5-9-14/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3,(H,19,20)
InChIKeySBZYICWBHWIELW-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one (CID 66105478) is 1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one is CCC1CCCCC12CC(=O)NC2Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is SBZYICWBHWIELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-15-10-6-7-11-18(15)13-17(20)19-16(18)12-14-8-4-3-5-9-14/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3,(H,19,20).
What are the key properties of 1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one?
1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 271.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 66105478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).