5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one

C17H21NO3 — CID 166154218

IUPAC5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one
SMILESCCN1CCC2(CC2)[C@@H](Oc2ccc3c(c2)COC3=O)C1
InChIInChI=1S/C17H21NO3/c1-2-18-8-7-17(5-6-17)15(10-18)21-13-3-4-14-12(9-13)11-20-16(14)19/h3-4,9,15H,2,5-8,10-11H2,1H3/t15-/m0/s1
InChIKeyNNYPVQRQMYSRMN-HNNXBMFYSA-N
MW287.36 g/mol
LogP2.61
Rot. Bonds3

About 5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one

5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one (PubChem CID 166154218) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one
PubChem CID166154218
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one
SMILESCCN1CCC2(CC2)[C@@H](Oc2ccc3c(c2)COC3=O)C1
InChIInChI=1S/C17H21NO3/c1-2-18-8-7-17(5-6-17)15(10-18)21-13-3-4-14-12(9-13)11-20-16(14)19/h3-4,9,15H,2,5-8,10-11H2,1H3/t15-/m0/s1
InChIKeyNNYPVQRQMYSRMN-HNNXBMFYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one with MolForge

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Related Compounds

5-[(3R)-1-ethyl-4,4-dimethylpiperidin-3-yl]oxy-3H-2-benzofuran-1-one
CID 166591924
5-[[(1S,5S,6R)-3-ethyl-3-azabicyclo[4.1.0]heptan-5-yl]oxy]-3H-2-benzofuran-1-one
CID 166154243
5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one
CID 162154699
ethyl 2-(chloromethyl)-4-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]benzoate
CID 166154206
4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid
CID 89445047
5-[(1R)-1-(1-ethylpiperidin-2-yl)ethoxy]-3H-2-benzofuran-1-one
CID 156500867
5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one
CID 156500885
5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one
CID 146296856
5-[(1S,2R)-2-amino-3-methylcyclopentyl]oxy-3H-2-benzofuran-1-one
CID 169079955
[(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate
CID 175135895
tert-butyl (1S,5S,6R)-5-[(1-oxo-3H-2-benzofuran-5-yl)oxy]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 166591950
5-propyl-3H-2-benzofuran-1-one
CID 123428472

Frequently Asked Questions

What is the IUPAC name of 5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one?
The IUPAC name of 5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one (CID 166154218) is 5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one is CCN1CCC2(CC2)[C@@H](Oc2ccc3c(c2)COC3=O)C1.
What is the InChIKey of 5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one?
The InChIKey is NNYPVQRQMYSRMN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-18-8-7-17(5-6-17)15(10-18)21-13-3-4-14-12(9-13)11-20-16(14)19/h3-4,9,15H,2,5-8,10-11H2,1H3/t15-/m0/s1.
What are the key properties of 5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one?
5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one has a molecular weight of 287.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(8R)-6-ethyl-6-azaspiro[2.5]octan-8-yl]oxy]-3H-2-benzofuran-1-one is sourced from PubChem (CID 166154218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).