1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one

C17H28N2O4 — CID 131692868

IUPAC1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one
SMILESCCCC(=O)N1CC2(CC(OCC(=O)N3CCCC3)CCO2)C1
InChIInChI=1S/C17H28N2O4/c1-2-5-15(20)19-12-17(13-19)10-14(6-9-23-17)22-11-16(21)18-7-3-4-8-18/h14H,2-13H2,1H3
InChIKeyWPXHPQBFDXDXKA-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.19
Rot. Bonds5

About 1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one

1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one (PubChem CID 131692868) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one.

Molecular Properties

Compound Name1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one
PubChem CID131692868
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one
SMILESCCCC(=O)N1CC2(CC(OCC(=O)N3CCCC3)CCO2)C1
InChIInChI=1S/C17H28N2O4/c1-2-5-15(20)19-12-17(13-19)10-14(6-9-23-17)22-11-16(21)18-7-3-4-8-18/h14H,2-13H2,1H3
InChIKeyWPXHPQBFDXDXKA-UHFFFAOYSA-N
XLogP1.19
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one?
The IUPAC name of 1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one (CID 131692868) is 1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one.
What is the SMILES notation for 1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one?
The canonical SMILES for 1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one is CCCC(=O)N1CC2(CC(OCC(=O)N3CCCC3)CCO2)C1.
What is the InChIKey of 1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one?
The InChIKey is WPXHPQBFDXDXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-2-5-15(20)19-12-17(13-19)10-14(6-9-23-17)22-11-16(21)18-7-3-4-8-18/h14H,2-13H2,1H3.
What are the key properties of 1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one?
1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one has a molecular weight of 324.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one is sourced from PubChem (CID 131692868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).