1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one

C15H27NO3 — CID 111456794

IUPAC1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
SMILESCCOC1CC(O)C12CCN(C(=O)C(C)CC)CC2
InChIInChI=1S/C15H27NO3/c1-4-11(3)14(18)16-8-6-15(7-9-16)12(17)10-13(15)19-5-2/h11-13,17H,4-10H2,1-3H3
InChIKeyOZSNCJIQPMSESD-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.81
Rot. Bonds4

About 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one

1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one (PubChem CID 111456794) 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)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
PubChem CID111456794
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
SMILESCCOC1CC(O)C12CCN(C(=O)C(C)CC)CC2
InChIInChI=1S/C15H27NO3/c1-4-11(3)14(18)16-8-6-15(7-9-16)12(17)10-13(15)19-5-2/h11-13,17H,4-10H2,1-3H3
InChIKeyOZSNCJIQPMSESD-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 120501516
4-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 120563308
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 111456860
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)hexan-1-one
CID 111456830
(2S)-2-amino-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-phenylpropan-1-one
CID 125134162
(1-aminocyclopentyl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119367
(E)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-ethylbut-2-en-1-one
CID 124744176
2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide
CID 111457232
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-ethylbut-2-en-1-one
CID 126799817
(1-aminocyclopentyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119364
2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide
CID 111458852
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119801192

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one?
The IUPAC name of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one (CID 111456794) is 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one?
The canonical SMILES for 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one is CCOC1CC(O)C12CCN(C(=O)C(C)CC)CC2.
What is the InChIKey of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one?
The InChIKey is OZSNCJIQPMSESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-11(3)14(18)16-8-6-15(7-9-16)12(17)10-13(15)19-5-2/h11-13,17H,4-10H2,1-3H3.
What are the key properties of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one?
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one has a molecular weight of 269.38 g/mol, XLogP of 1.81, 4 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)-2-methylbutan-1-one is sourced from PubChem (CID 111456794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).