1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one

C15H27NO3 — CID 111456860

IUPAC1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
SMILESCCCCC(=O)N1CCC2(CC1)C(O)CC2OCC
InChIInChI=1S/C15H27NO3/c1-3-5-6-14(18)16-9-7-15(8-10-16)12(17)11-13(15)19-4-2/h12-13,17H,3-11H2,1-2H3
InChIKeyBBPUWNXLKRIQIJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.96
Rot. Bonds5

About 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one

1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one (PubChem CID 111456860) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one.

Molecular Properties

Compound Name1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
PubChem CID111456860
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
SMILESCCCCC(=O)N1CCC2(CC1)C(O)CC2OCC
InChIInChI=1S/C15H27NO3/c1-3-5-6-14(18)16-9-7-15(8-10-16)12(17)11-13(15)19-4-2/h12-13,17H,3-11H2,1-2H3
InChIKeyBBPUWNXLKRIQIJ-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)hexan-1-one
CID 111456830
4-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 120563308
(E)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-ethylbut-2-en-1-one
CID 124744176
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-ethylbut-2-en-1-one
CID 126799817
(1-aminocyclopentyl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119367
(1-aminocyclopentyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119364
1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-4-pyridin-2-ylbutan-1-one
CID 97100777
3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 120501516
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 111456794
1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 111457366
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone
CID 111456935
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 70776664

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one?
The IUPAC name of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one (CID 111456860) is 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one.
What is the SMILES notation for 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one?
The canonical SMILES for 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one is CCCCC(=O)N1CCC2(CC1)C(O)CC2OCC.
What is the InChIKey of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one?
The InChIKey is BBPUWNXLKRIQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-5-6-14(18)16-9-7-15(8-10-16)12(17)11-13(15)19-4-2/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one?
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one has a molecular weight of 269.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one is sourced from PubChem (CID 111456860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).