4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one

C11H19NO2 — CID 130625944

IUPAC4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one
SMILESCC(=O)CCN1CCCC12CCOC2
InChIInChI=1S/C11H19NO2/c1-10(13)3-7-12-6-2-4-11(12)5-8-14-9-11/h2-9H2,1H3
InChIKeyPKQIATYJVGEZPZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.22
Rot. Bonds3

About 4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one

4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one (PubChem CID 130625944) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one
PubChem CID130625944
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one
SMILESCC(=O)CCN1CCCC12CCOC2
InChIInChI=1S/C11H19NO2/c1-10(13)3-7-12-6-2-4-11(12)5-8-14-9-11/h2-9H2,1H3
InChIKeyPKQIATYJVGEZPZ-UHFFFAOYSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S,5S)-5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone
CID 59074642
7-Propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
CID 90348093
1-Propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
CID 90348106
1-Methyl-7-oxa-1-azaspiro[4.4]nonane
CID 90349793
7-Ethyl-1-oxa-7-azaspiro[4.4]nonane
CID 90352606
7-Tert-butyl-1-oxa-7-azaspiro[4.4]nonane
CID 121308337
1-Butan-2-yl-7-oxa-1-azaspiro[4.4]nonane
CID 126993210
1-Tert-butyl-7-oxa-1-azaspiro[4.4]nonane
CID 130211344
1-Ethyl-7-oxa-1-azaspiro[4.4]nonane
CID 130223312
(9R)-9-methyl-1-pentyl-7-oxa-1-azaspiro[4.4]nonane
CID 130224225
(4R)-1,4-dimethyl-7-oxa-1-azaspiro[4.4]nonane
CID 130224363
2-Methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
CID 131084716

Frequently Asked Questions

What is the IUPAC name of 4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one?
The IUPAC name of 4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one (CID 130625944) is 4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one.
What is the SMILES notation for 4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one?
The canonical SMILES for 4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one is CC(=O)CCN1CCCC12CCOC2.
What is the InChIKey of 4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one?
The InChIKey is PKQIATYJVGEZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(13)3-7-12-6-2-4-11(12)5-8-14-9-11/h2-9H2,1H3.
What are the key properties of 4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one?
4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one is sourced from PubChem (CID 130625944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).