5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one

C16H21NO2 — CID 106824684

IUPAC5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one
SMILESCCOC1CC2(CC(=O)NC2Cc2ccccc2)C1
InChIInChI=1S/C16H21NO2/c1-2-19-13-9-16(10-13)11-15(18)17-14(16)8-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,17,18)
InChIKeySMICLDLLUQRHCE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.30
Rot. Bonds4

About 5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one

5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one (PubChem CID 106824684) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one
PubChem CID106824684
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one
SMILESCCOC1CC2(CC(=O)NC2Cc2ccccc2)C1
InChIInChI=1S/C16H21NO2/c1-2-19-13-9-16(10-13)11-15(18)17-14(16)8-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,17,18)
InChIKeySMICLDLLUQRHCE-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-7-methoxy-2-azaspiro[4.5]decan-3-one
CID 106874746
1-benzyl-7-thia-2-azaspiro[4.4]nonan-3-one
CID 66103043
1-benzyl-7,7-dimethyl-9-thia-2-azaspiro[4.5]decan-3-one
CID 79946327
9-(2-chlorophenyl)-2-ethoxy-7-azaspiro[3.5]nonane-6,8-dione
CID 106824856
1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one
CID 66105478
5-benzyl-4-methyl-4-thiophen-2-ylpyrrolidin-2-one
CID 66103946
1-benzyl-9-methylsulfonyl-2-azaspiro[4.4]nonan-3-one
CID 66104167
9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
CID 103565591
5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one
CID 66108510
9-benzyl-7-azaspiro[3.5]nonane-6,8-dione
CID 79317706
1-methoxy-3-phenylmethoxycyclobutan-1-amine
CID 174783197
1,8-diethyl-2-azaspiro[4.4]nonan-3-one
CID 66106354

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one?
The IUPAC name of 5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one (CID 106824684) is 5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one.
What is the SMILES notation for 5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one?
The canonical SMILES for 5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one is CCOC1CC2(CC(=O)NC2Cc2ccccc2)C1.
What is the InChIKey of 5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one?
The InChIKey is SMICLDLLUQRHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-19-13-9-16(10-13)11-15(18)17-14(16)8-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,17,18).
What are the key properties of 5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one?
5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one has a molecular weight of 259.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-ethoxy-6-azaspiro[3.4]octan-7-one is sourced from PubChem (CID 106824684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).