(2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate

C11H17NO3 — CID 154710863

IUPAC(2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate
SMILESCC(=O)OCC1CC(=O)NC12CCCC2
InChIInChI=1S/C11H17NO3/c1-8(13)15-7-9-6-10(14)12-11(9)4-2-3-5-11/h9H,2-7H2,1H3,(H,12,14)
InChIKeyTWPRVZAZLPIXLC-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.00
Rot. Bonds2

About (2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate

(2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate (PubChem CID 154710863) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate.

Molecular Properties

Compound Name(2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate
PubChem CID154710863
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate
SMILESCC(=O)OCC1CC(=O)NC12CCCC2
InChIInChI=1S/C11H17NO3/c1-8(13)15-7-9-6-10(14)12-11(9)4-2-3-5-11/h9H,2-7H2,1H3,(H,12,14)
InChIKeyTWPRVZAZLPIXLC-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate?
The IUPAC name of (2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate (CID 154710863) is (2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate.
What is the SMILES notation for (2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate?
The canonical SMILES for (2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate is CC(=O)OCC1CC(=O)NC12CCCC2.
What is the InChIKey of (2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate?
The InChIKey is TWPRVZAZLPIXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(13)15-7-9-6-10(14)12-11(9)4-2-3-5-11/h9H,2-7H2,1H3,(H,12,14).
What are the key properties of (2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate?
(2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate has a molecular weight of 211.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-azaspiro[4.4]nonan-4-yl)methyl acetate is sourced from PubChem (CID 154710863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).