1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one

C17H23NO2 — CID 106874746

IUPAC1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one
SMILESCOC1CCCC2(CC(=O)NC2Cc2ccccc2)C1
InChIInChI=1S/C17H23NO2/c1-20-14-8-5-9-17(11-14)12-16(19)18-15(17)10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3,(H,18,19)
InChIKeyHEJFIPQPGCYUGF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.69
Rot. Bonds3

About 1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one

1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one (PubChem CID 106874746) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one
PubChem CID106874746
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one
SMILESCOC1CCCC2(CC(=O)NC2Cc2ccccc2)C1
InChIInChI=1S/C17H23NO2/c1-20-14-8-5-9-17(11-14)12-16(19)18-15(17)10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3,(H,18,19)
InChIKeyHEJFIPQPGCYUGF-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one (CID 106874746) is 1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one is COC1CCCC2(CC(=O)NC2Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one?
The InChIKey is HEJFIPQPGCYUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-20-14-8-5-9-17(11-14)12-16(19)18-15(17)10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3,(H,18,19).
What are the key properties of 1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one?
1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one has a molecular weight of 273.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 106874746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).