1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone

C10H15NO4 — CID 77314024

IUPAC1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone
SMILESCC(=O)C1CC2(CN1C(C)=O)OCCO2
InChIInChI=1S/C10H15NO4/c1-7(12)9-5-10(14-3-4-15-10)6-11(9)8(2)13/h9H,3-6H2,1-2H3
InChIKeyCHXLCHDHIIEQMX-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.06
Rot. Bonds1

About 1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone

1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone (PubChem CID 77314024) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone.

Molecular Properties

Compound Name1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone
PubChem CID77314024
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone
SMILESCC(=O)C1CC2(CN1C(C)=O)OCCO2
InChIInChI=1S/C10H15NO4/c1-7(12)9-5-10(14-3-4-15-10)6-11(9)8(2)13/h9H,3-6H2,1-2H3
InChIKeyCHXLCHDHIIEQMX-UHFFFAOYSA-N
XLogP-0.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8S)-1,4-dioxa-7-azaspiro[4.4]nonane-7,8-dicarbaldehyde
CID 58807880
1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone
CID 67561539
tert-butyl (2R)-2-acetyl-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrrolidine-1-carboxylate
CID 71021095
(3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde
CID 89380119
8-Methoxycarbonyl-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylic acid
CID 90158552
1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone
CID 117744497
1-[(3aR,4S,6aS)-5-acetyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethanone
CID 117744547
1-[(3aR,4S,6aS)-5-acetyl-2,2-diethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethanone
CID 117744596
(3aR,4S,6aS)-5-acetyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carbaldehyde
CID 117782050
1-(8-Acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one
CID 142110435
1-[(3aR,4S,6aS)-5-acetyl-2-ethyl-2-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethanone
CID 142268413
1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane
CID 142269127

Frequently Asked Questions

What is the IUPAC name of 1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone?
The IUPAC name of 1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone (CID 77314024) is 1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone.
What is the SMILES notation for 1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone?
The canonical SMILES for 1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone is CC(=O)C1CC2(CN1C(C)=O)OCCO2.
What is the InChIKey of 1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone?
The InChIKey is CHXLCHDHIIEQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-7(12)9-5-10(14-3-4-15-10)6-11(9)8(2)13/h9H,3-6H2,1-2H3.
What are the key properties of 1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone?
1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone has a molecular weight of 213.23 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone is sourced from PubChem (CID 77314024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).