2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone

C15H26N2O3 — CID 124786488

IUPAC2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COCC[C@H]1CCOC2(CNC2)C1)N1CCCC1
InChIInChI=1S/C15H26N2O3/c18-14(17-5-1-2-6-17)10-19-7-3-13-4-8-20-15(9-13)11-16-12-15/h13,16H,1-12H2/t13-/m0/s1
InChIKeyWRWAPDVWYXGUDK-ZDUSSCGKSA-N
MW282.38 g/mol
LogP0.78
Rot. Bonds5

About 2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone

2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 124786488) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone
PubChem CID124786488
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COCC[C@H]1CCOC2(CNC2)C1)N1CCCC1
InChIInChI=1S/C15H26N2O3/c18-14(17-5-1-2-6-17)10-19-7-3-13-4-8-20-15(9-13)11-16-12-15/h13,16H,1-12H2/t13-/m0/s1
InChIKeyWRWAPDVWYXGUDK-ZDUSSCGKSA-N
XLogP0.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-oxa-2-azaspiro[3.5]nonan-8-yl)ethoxy]-1-pyrrolidin-1-ylethanone
CID 131654020
cyclobutyl-[8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692810
8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 133140989
2-(piperidin-4-ylmethoxy)-1-pyrrolidin-1-ylethanone
CID 39062936
1-[(8R)-8-(2-ethoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(4-fluorophenoxy)ethanone
CID 124869912
(4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane
CID 99728151
2-cyclopentyl-1-[8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 131642459
1-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124801146
8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 171696059
2-cyclopentyloxy-1-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 131653717
4-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79923955
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone (CID 124786488) is 2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone is O=C(COCC[C@H]1CCOC2(CNC2)C1)N1CCCC1.
What is the InChIKey of 2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is WRWAPDVWYXGUDK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(17-5-1-2-6-17)10-19-7-3-13-4-8-20-15(9-13)11-16-12-15/h13,16H,1-12H2/t13-/m0/s1.
What are the key properties of 2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone?
2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 282.38 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 124786488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).